[ CAS No. 4887-82-5 ] {[proInfo.proName]}

Name: 4887-82-5|6-Chloro-1H-benzo[d]imidazole|97%
Brand: Ambeed
SKU: A136803
Price: 7.0 USD
Availability: InStock
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3d Animation Molecule Structure of 4887-82-5

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Quality Control of [ 4887-82-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 4887-82-5 ]

SDS Specification

Alternatived Products of [ 4887-82-5 ]

Product Details of [ 4887-82-5 ]

CAS No. :	4887-82-5	MDL No. :	MFCD07432850
Formula :	C₇H₅ClN₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NKLOLMQJDLMZRE-UHFFFAOYSA-N
M.W :	152.58	Pubchem ID :	78599
Synonyms :

Calculated chemistry of [ 4887-82-5 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	41.1
TPSA :	28.68 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.23
Log Po/w (XLOGP3) :	2.44
Log Po/w (WLOGP) :	2.22
Log Po/w (MLOGP) :	1.58
Log Po/w (SILICOS-IT) :	2.71
Consensus Log Po/w :	2.04

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.99
Solubility :	0.156 mg/ml ; 0.00103 mol/l
Class :	Soluble
Log S (Ali) :	-2.69
Solubility :	0.315 mg/ml ; 0.00206 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.51
Solubility :	0.0472 mg/ml ; 0.000309 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.27

Safety of [ 4887-82-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 4887-82-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 4887-82-5 ]
Downstream synthetic route of [ 4887-82-5 ]

[ 4887-82-5 ] Synthesis Path-Upstream 1~19

1
[ 124-38-9 ]
[ 95-83-0 ]
[ 4887-82-5 ]

Reference： [1] Green Chemistry, 2013, vol. 15, # 1, p. 95 - 99
[2] ChemCatChem, 2013, vol. 5, # 1, p. 117 - 120
[3] Patent: US2015/148535, 2015, A1, . Location in patent: Paragraph 0192; 0193

2
[ 1758-73-2 ]
[ 89-63-4 ]
[ 4887-82-5 ]

Yield	Reaction Conditions	Operation in experiment
64%	With sodium hydroxide In ethanol; water at 70℃; for 1 h; Green chemistry	General procedure: TUD (20 mmol) was added in batches to a solution of substituted 2‑nitroanilines (5 mmol) and NaOH (20 mmol) in H2O (15 mL) and EtOH (5 mL) at 70 °C. The reaction mixture was stirred for a certain period of time as required to complete the reaction (monitored byTLC). After cooling, 10percent NaOH solutions were added until pH = 9–10, the precipitated solid was filtered off and washed with water to obtain crude product. The crude product was recrystallised from water to give a white solid. The physical and spectra data of the compounds 2a–h were as follows.

Reference： [1] Journal of Chemical Research, 2014, vol. 38, # 2, p. 118 - 120

3
[ 95-83-0 ]
[ 122-51-0 ]
[ 4887-82-5 ]

Reference： [1] European Journal of Organic Chemistry, 2011, # 15, p. 2827 - 2835
[2] Organic Preparations and Procedures International, 2013, vol. 45, # 1, p. 57 - 65
[3] Monatshefte fur Chemie, 2007, vol. 138, # 1, p. 89 - 94
[4] Chinese Journal of Chemistry, 2011, vol. 29, # 8, p. 1739 - 1744
[5] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 7, p. 1154 - 1159
[6] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 6, p. 1509 - 1512
[7] Synthetic Communications, 2004, vol. 34, # 23, p. 4265 - 4272
[8] Journal of Chemical Research - Part S, 2000, # 12, p. 584 - 585

4
[ 64-18-6 ]
[ 610-40-2 ]
[ 4887-82-5 ]

Reference： [1] ChemSusChem, 2015, vol. 8, # 18, p. 3029 - 3035

5
[ 95-83-0 ]
[ 68-12-2 ]
[ 4887-82-5 ]

Reference： [1] RSC Advances, 2015, vol. 5, # 37, p. 29447 - 29455
[2] New Journal of Chemistry, 2016, vol. 40, # 10, p. 8282 - 8287

6
[ 67-56-1 ]
[ 89-63-4 ]
[ 4887-82-5 ]

Reference： [1] RSC Advances, 2016, vol. 6, # 76, p. 72750 - 72755

7
[ 64-18-6 ]
[ 95-83-0 ]
[ 4887-82-5 ]

Reference： [1] Molecules, 2015, vol. 20, # 8, p. 15206 - 15223
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 24, p. 9591 - 9600
[3] Journal of the Korean Chemical Society, 2010, vol. 54, # 5, p. 589 - 593
[4] Journal of the Chilean Chemical Society, 2012, vol. 57, # 2, p. 1122 - 1125,4
[5] Bioorganic and medicinal chemistry letters, 2002, vol. 12, # 16, p. 2221 - 2224
[6] Chemische Berichte, 1904, vol. 37, p. 557
[7] Chemische Berichte, 1904, vol. 37, p. 557

8
[ 144-62-7 ]
[ 95-83-0 ]
[ 4887-82-5 ]

Reference： [1] Organic and Biomolecular Chemistry, 2018, vol. 16, # 8, p. 1337 - 1342

9
[ 95-83-0 ]
[ 149-73-5 ]
[ 4887-82-5 ]

Reference： [1] Journal of Fluorine Chemistry, 2010, vol. 131, # 12, p. 1377 - 1381

10
[ 52131-38-1 ]
[ 4887-82-5 ]
[ 84445-77-2 ]

Reference： [1] Chemical & Pharmaceutical Bulletin, 1982, vol. 30, # 8, p. 2714 - 2722

11
[ 79938-37-7 ]
[ 4887-82-5 ]
[ 84445-78-3 ]

Reference： [1] Chemical & Pharmaceutical Bulletin, 1982, vol. 30, # 8, p. 2714 - 2722

12
[ 3724-43-4 ]
[ 95-83-0 ]
[ 4887-82-5 ]

Reference： [1] Heterocycles, 1984, vol. 22, # 7, p. 1545 - 1554

13
[ 17537-17-6 ]
[ 78-84-2 ]
[ 4887-82-5 ]
[ 4886-29-7 ]

Reference： [1] Synthetic Communications, 2006, vol. 36, # 22, p. 3425 - 3439

14
[ 67-56-1 ]
[ 89-63-4 ]
[ 10406-94-7 ]
[ 10394-36-2 ]
[ 4887-82-5 ]

Reference： [1] Green Chemistry, 2015, vol. 17, # 12, p. 5172 - 5181

15
[ 57-55-6 ]
[ 95-83-0 ]
[ 4887-82-5 ]
[ 2818-69-1 ]

Reference： [1] Bulletin of the Chemical Society of Japan, 2010, vol. 83, # 7, p. 831 - 837

16
[ 107-21-1 ]
[ 95-83-0 ]
[ 51-17-2 ]
[ 4887-82-5 ]

Reference： [1] Bulletin of the Chemical Society of Japan, 2010, vol. 83, # 7, p. 831 - 837

17
[ 124-38-9 ]
[ 89-63-4 ]
[ 4887-82-5 ]

Reference： [1] ChemCatChem, 2018, vol. 10, # 12, p. 2593 - 2600

18
[ 4887-82-5 ]
[ 2034-23-3 ]

Reference： [1] Chemistry of Natural Compounds, 1983, vol. 19, # 1, p. 124 - 125[2] Khimiya Prirodnykh Soedinenii, 1983, # 1, p. 121

19
[ 17537-17-6 ]
[ 78-84-2 ]
[ 4887-82-5 ]
[ 4886-29-7 ]

Reference： [1] Synthetic Communications, 2006, vol. 36, # 22, p. 3425 - 3439

[ 4887-82-5 ] Synthesis Path-Downstream 1~88

1
[ 110-89-4 ]
[ 50-00-0 ]
[ 4887-82-5 ]
[ 76479-74-8 ]
[ 76486-34-5 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

2
[ 50-00-0 ]
[ 4887-82-5 ]
[ 334992-50-6 ]
[ 55879-68-0 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

3
[ 50893-53-3 ]
[ 4887-82-5 ]
[ 24850-33-7 ]
[ 144369-34-6 ]

Reference： [1]Tetrahedron Letters,1992,vol. 33,p. 5399 - 5402

4
[ 4887-82-5 ]
[ 24850-33-7 ]
[ 541-41-3 ]
[ 144369-32-4 ]

Reference： [1]Tetrahedron Letters,1992,vol. 33,p. 5399 - 5402

5
[ 50-00-0 ]
[ 4887-82-5 ]
[ 106-49-0 ]
[ 76479-51-1 ]
[ 76479-63-5 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

6
[ 50-00-0 ]
[ 4887-82-5 ]
[ 106-47-8 ]
[ 76479-58-8 ]
[ 76479-70-4 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

7
[ 50-00-0 ]
[ 4887-82-5 ]
[ 104-94-9 ]
[ 76479-52-2 ]
[ 76479-64-6 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

8
[ 50-00-0 ]
[ 4887-82-5 ]
[ 150-13-0 ]
[ 76479-54-4 ]
[ 76479-66-8 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

9
[ 50-00-0 ]
[ 4887-82-5 ]
[ 100-01-6 ]
[ 76479-60-2 ]
[ 76479-72-6 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

10
[ 4887-82-5 ]
[ 127167-47-9 ]
[ 127165-81-5 ]
[ 127165-80-4 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3402 - 3413

11
[ 50-00-0 ]
[ 4887-82-5 ]
[ 62-53-3 ]
[ 76479-50-0 ]
[ 76479-62-4 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538
[2]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

12
[ 50-00-0 ]
[ 4887-82-5 ]
[ 156-43-4 ]
[ 76479-53-3 ]
[ 76479-65-7 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

13
[ 50-00-0 ]
[ 4887-82-5 ]
[ 94-09-7 ]
[ 76479-56-6 ]
[ 76479-68-0 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

14
[ 50-00-0 ]
[ 4887-82-5 ]
[ 371-40-4 ]
[ 76479-57-7 ]
[ 76479-69-1 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

15
[ 50-00-0 ]
[ 4887-82-5 ]
[ 106-40-1 ]
[ 76479-59-9 ]
[ 76479-71-5 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

16
[ 50-00-0 ]
[ 4887-82-5 ]
[ 619-45-4 ]
[ 76479-55-5 ]
[ 76479-67-9 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

17
[ 3724-43-4 ]
[ 95-83-0 ]
[ 4887-82-5 ]

Reference： [1]Heterocycles,1984,vol. 22,p. 1545 - 1554

18
[ 52131-38-1 ]
[ 4887-82-5 ]
[ 84445-77-2 ]

Reference： [1]Chemical and pharmaceutical bulletin,1982,vol. 30,p. 2714 - 2722

19
[ 79938-37-7 ]
[ 4887-82-5 ]
[ 84445-78-3 ]

Reference： [1]Chemical and pharmaceutical bulletin,1982,vol. 30,p. 2714 - 2722

20
[ 119-61-9 ]
[ 4887-82-5 ]
(5-benzimidazolyl)diphenylcarbinol [ No CAS ]

Reference： [1]Chemistry of Heterocyclic Compounds,2006,vol. 42,p. 115 - 116

21
[ 4887-82-5 ]
[ 100-52-7 ]
[ 82326-53-2 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2006,vol. 42,p. 115 - 116

22
[ 4887-82-5 ]
[ 123-11-5 ]
5-(p-methoxybenzoyl)benzimidazole [ No CAS ]

Reference： [1]Chemistry of Heterocyclic Compounds,2006,vol. 42,p. 115 - 116

23
[ 17537-17-6 ]
[ 78-84-2 ]
[ 4887-82-5 ]
[ 4886-29-7 ]

Reference： [1]Synthetic Communications,2006,vol. 36,p. 3425 - 3439

24
[ 4887-82-5 ]
[ 18162-48-6 ]
[ 959999-52-1 ]

Yield	Reaction Conditions	Operation in experiment
30%		Intermediate 2; M&lbgammal 5-{5~chloro-1 Mbe?2Jm.d8ZthetaJ-1-v.)-3-[(1/?)-1-(2-chioro~ 3"hvdroxyphe?yi)ethy?oxy}-2-thiophe?ecaphiochiyiateStep A - Methyi 5-(5-chioro-1 AAbenzimida2ol-1-y.)-3-[(1 ,1-dimethylethyl)- (climethy.)si.y.]oxy}-2-thiophenecarboxyiateTo a mixture of chiorobe?zimidazole (7,0 g, 48 mmol) and methyl 2-chloro-3- oxo-2,3-dihydro-2-thk>phenecarboxyiate (Synthesis,, 1984,, IQ1 847-850) (9.8 g, 51 mmol) in 400 mL of chloroform was added /V-methyiimidazoie (5.5 mL, 89 mmoi). After 16 h, fe/f-buiyfchlorodimethyisilane (8.9 g, 46 mmol) and lambdaA methylimidazoie (3.7 ml, 48 mmol) was added. The reaction mixture was diluted with water and the layers were separated. The aqueous phase was extracted with DCW. The combined organic layers were washed with water, dried over MgSO4 and concentrated onto silica gel The crude material was purified by flash column chromatography (0-100% 25% EtOAc/hexanes) to give 5,8 g of the desired product (30%). 1H NMR (400 MHz, Cl6-DMSO) delta 8.79 (ss 1H), 7.8S (ci, ,/ =2.0 Hz1 IH), 7.81 (d, J =%alpha HZ1 1H)1 7,44 (dd, J^8,8 and 2.0 Hz, 1H), 7,25 (s. 1H), 3.78 (s, 3H), 0.99 (s, 9H), 0.27 (s, QH).

Reference： [1]Patent: WO2007/143456,2007,A2 .Location in patent: Page/Page column 83

25
[ 4887-82-5 ]
4-(5-chloro-benzoimidazol-1-yl)-phenylamine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5263 - 5267

26
[ 4887-82-5 ]
2-(3-cyano-phenyl)-5-pyridin-3-yl-2H-pyrazole-3-carboxylic acid [4-(5-chloro-benzoimidazol-1-yl)-phenyl]-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5263 - 5267

27
[ 4887-82-5 ]
[ 848393-35-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5263 - 5267

28
[ 4887-82-5 ]
[ 848393-36-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5263 - 5267

29
[ 4887-82-5 ]
2-(3-carbamimidoyl-phenyl)-5-pyridin-3-yl-2H-pyrazole-3-carboxylic acid [4-(5-chloro-benzoimidazol-1-yl)-phenyl]-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5263 - 5267

30
[ 4887-82-5 ]
2-(3-carbamimidoyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-(6-chloro-benzoimidazol-1-yl)-2-fluoro-phenyl]-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5263 - 5267

31
[ 4887-82-5 ]
2-(3-carbamimidoyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-(5-chloro-benzoimidazol-1-yl)-2-fluoro-phenyl]-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5263 - 5267

32
[ 4887-82-5 ]
[ 127166-29-4 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3402 - 3413

33
[ 4887-82-5 ]
[ 127166-28-3 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3402 - 3413

34
[ 4887-82-5 ]
[ 76486-33-4 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538
[2]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

35
[ 4887-82-5 ]
[ 76479-73-7 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538
[2]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

36
[ 4887-82-5 ]
[ 76479-75-9 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538
[2]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

37
[ 4887-82-5 ]
[ 76479-61-3 ]

Reference： [1]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538
[2]European Journal of Medicinal Chemistry,1980,vol. 15,p. 536 - 538

38
N,O-bistrimethylsilylacetamide [ No CAS ]
[ 37076-71-4 ]
[ 4887-82-5 ]
[ 211694-14-3 ]
[ 211694-15-4 ]

Yield	Reaction Conditions	Operation in experiment
	With trimethylsilyl trifluoromethanesulfonate; In 1,2-dichloro-ethane;	Example 48 5-Chloro-1-(2,3-di-O-acetyl-5deoxy-beta-D-ribofuranosyl)-1H-benzimidazole and 6-chloro-1-(2,3-di-O-acetyl-5deoxy-beta-D-ribofuranosyl)-1H-benzimidazole A mixture of 1.17 g (7.7 mmol) of <strong>[4887-82-5]5-chloro-1H-benzimidazole</strong> and 1.88 mL (7.7 mmol) of N,O-bistrimethylsilylacetamide (Aldrich) in 40 mL of 1,2-dichloroethane was heated at reflux for 1 h. The mixture was cooled to room temperature, followed by the addition of 2.95 mL (15.4 mmol) of trimethylsilyl triflate. After stirring for 10 min, 2 g (7.7 mmol) of 1,2,3-tri-O-acetyl-5-deoxy-D-ribofuranoside was added. The reaction mixture was brought to reflux for 1 h and then stirred at room temperature for 18 h. The reaction mixture was diluted with EtOAc (100 mL), and the resultant EtOAc solution was washed with sat. NaHCO3 and sat. brine. After drying (MgSO4) and solvent removal, the crude product was flash column chromatographed on silica gel with EtOAc/hexane (7:3) to give first 0.75 g (28%) of an oil identified as 5-chloro-1-(2,3-di-O-acetyl-5-deoxy-beta-D-ribofuranosyl)-1H-benzimidazole on the basis of NOESY analysis. Further elution resulted in 0.92 g (34%) of 6-chloro-1-(2,3-di-O-acetyl-5-deoxy-beta-D-ribofuranosyl)-1H-benzimidazole, also confirmed by NOESY analysis. 1H NMR for 5-chloro-1-(2,3-di-O-acetyl-5-deoxy-beta-D-ribofuranosyl)-1H-benzimidazole (DMSO-d6) delta1.4 (d, 3H, CH3), 2 (s, 3H, COCH3), 2.09 (s, 3H, COCH3), 4.2 (quintet, 1H, CH), 5.12 (t, 1H, CH), 5.6 (t, 1H, CH), 6.2 (d, 1H, CH), 7.3 (d, 1H, aromatic), 7.7 (d, 1H, aromatic), 7.74 (s, 1H, aromatic), 8.6 (s, 1H, CH). 1H NMR for 6-chloro-1-(2,3-di-O-acetyl-5-deoxy-beta-D-ribofuranosyl)-1H-benzimidazole (DMSO-d6) delta1.4 (d, 3H, CH3), 2 (s, 3H, CO CH3), 2.1 (s, 3H, CO CH3), 4.2 (quintet, 1H, CH), 5.12 (t, 1H, CH), 5.6 (t, 1H, CH), 6.2 (d, 1H, CH), 7.28 (d, 1H, aromatic), 7.67 (d,1H, aromatic), 7.85 (s, 1H, aromatic), 8.55 (s,1H, CH).

Reference： [1]Patent: US6413938,2002,B1

39
[ 4887-82-5 ]
[ 76-83-5 ]
6-chloro-1-trityl-1H-benzo[d]imidazole [ No CAS ]
5-chloro-1-trityl-1H-benzo[d]imidazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In N,N-dimethyl-formamide; at 20℃; for 3h;	To a solution of <strong>[4887-82-5]5-chloro-1H-benzo[d]imidazole</strong> (500 mg, 3.28 mmol) in 5 mL DMF, were added TEA (0.502 mL, 3.60 mmol) and TrCl (1.00 g, 3.60 mmol). The mixture was stirred at rt for 3 h, then was diluted with EtOAc. The organic phase was washed with H2O (2×) and brine, dried (Na2SO4) and concentrated. The crude product was purified by flash chromatography (0 to 75% EtOAc/hexanes gradient) to afford 580 mg of 5-chloro-1-trityl-1H-benzo[d]imidazole, followed by 225 mg of 6-chloro-1-trityl-1H-benzo[d]imidazole (177.1) as a white solid.

Reference： [1]Patent: US2006/211720,2006,A1 .Location in patent: Page/Page column 82

40
[ 3934-20-1 ]
[ 4887-82-5 ]
[ 882562-61-0 ]
[ 882562-62-1 ]

Yield	Reaction Conditions	Operation in experiment
14%; 12%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 16h;	<strong>[4887-82-5]5-Chlorobenzimidazole</strong> (2.04 g), 2,4-dichloropyrimidine (2 g), potassium carbonate (2.07 g) and DMF (20 ml) were combined and stirred at room temperature for 16 hours. The reaction mixture was diluted with EtOAc (100 ml), washed with water (2 x 30 ml), concentrated in vacuo and purified by column chromatography on silica eluting with 75-100% EtO Ac/heptane to give:5-Chloro-l-(2-chloropyrimidin-4-yl)-lH-benzimidazole (Intermediate 21) as a white solid (501 mg, 14%). Tie Rf = 0.45 (EtOAc). LCMS 265/267 [M+Eta]+, RT 3.50 min. 1H NMR 300 MHz (d6-DMSO) 9.30 (1H, s), 8.90 (1H, d), 8.45 (1H, d), 8.20 (1H, d), 7.90 (1H, d), 7.55 (1H, dd).6-Chloro-l-(2-chloropyrimidin-4-yl)-lH-benzimidazole (Intermediate 22) as a white solid (426 mg, 12%). Tie Rf = 0.40 (EtOAc). LCMS 265/267 [M+H]+, RT 3.46 min. 1H NMR 300 MHz (d6-DMSO) 9.25 (1H, s), 8.95 (1H, d), 8.45 (1H, d), 8.20 (1H, d), 7.85 (1H, d), 7.45 (1H, dd).

Reference： [1]Patent: WO2006/38001,2006,A1 .Location in patent: Page/Page column 46

41
[ 4887-82-5 ]
[ 95201-94-8 ]
[ 18162-48-6 ]
[ 959999-52-1 ]

Yield	Reaction Conditions	Operation in experiment
30%		Step A-Methyl 5-(5-chloro-1H-benzimidazol-1-yl)-3-[(1,1-dimethylethyl)-(dimethyl)silyl]oxy}-2-thiophenecarboxylate To a mixture of chlorobenzimidazole (7.0 g, 48 mmol) and methyl 2-chloro-3-oxo-2.3-dihydro-2-thiophenecarboxylate (Synthesis, 1984, 10, 847-850) (9.8 g, 51 mmol) in 400 mL of chloroform was added N-methylimidazole (5.5 mL, 69 mmol). After 16 h, tert-butylchlorodimethylsilane (6.9 g, 46 mmol) and N-rnethylimidazole (3.7 mL, 48 mmol) was added. The reaction mixture was diluted with water and the layers were separated. The aqueous phase was extracted with DCM. The combined organic layers were washed with water, dried over MgSO4 and concentrated onto silica gel. The crude material was purified by flash column chromatography (0-100% 25% EtOAc/hexanes) to give 5.8 g of the desired product (30%). 1H NMR (400 MHz, d6-DMSO) delta 8.79 (s, 1H), 7.88 (d, J=2.0 Hz, 1H), 7.81 (d, J=8.8 Hz, 1H), 7.44 (dd, J=8.8 and 2.0 Hz, 1H), 7.25 (s, 1H), 3.78 (s, 3H), 0.99 (s, 9H), 0.27 (s, 6H).

Reference： [1]Patent: US2008/300247,2008,A1 .Location in patent: Page/Page column 36

42
[ 89-95-2 ]
[ 4887-82-5 ]
[ 95201-94-8 ]
5-(5-chloro-1H-benzimidazol-1-yl)-3-[(2-methylbenzyl)oxy]-2-thiophenecarboxamide [ No CAS ]
5-(6-chloro-1H-benzimidazol-1-yl)-3-[(2-methylbenzyl)oxy]thiophene-2-carboxamide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 1018 - 1021

43
[ 89-95-2 ]
[ 4887-82-5 ]
[ 95201-94-8 ]
methyl 5-(6-chloro-1H-benzimidazol-1-yl)-3-[(2-methylbenzyl)oxy]-2-thiophenecarboxylate [ No CAS ]
methyl 5-(5-chloro-1H-benzimidazol-1-yl)-3-[(2-methylbenzyl)oxy]-2-thiophenecarboxylate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 1018 - 1021

44
[ 4887-82-5 ]
[ 95201-94-8 ]
methyl 5-(5-chloro-1H-benzimidazol-1-yl)-3-hydroxy-2-thiophene-carboxylate [ No CAS ]
methyl 5-(6-chloro-1H-benzimidazol-1-yl)-3-hydroxy-2-thiophene-carboxylate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 1018 - 1021

45
[ 4887-82-5 ]
[ 1196457-07-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2009,vol. 17,p. 7281 - 7289

46
[ 4887-82-5 ]
[ 111409-79-1 ]
6-chloro-1-((triisopropylsilyl)ethynyl)-1H-benzo[d]imidazole [ No CAS ]
[ 1206196-71-5 ]

Reference： [1]Journal of Organic Chemistry,2010,vol. 75,p. 980 - 983

47
[ 4887-82-5 ]
[ 932-87-6 ]
[ 1206196-73-7 ]
6-chloro-1-(phenylethynyl)-1H-benzo[d]imidazole [ No CAS ]
[ 1206196-85-1 ]

Reference： [1]Journal of Organic Chemistry,2010,vol. 75,p. 980 - 983

48
[ 4887-82-5 ]
[ 448944-55-6 ]
C₁₇H₂₃ClN₂OSi [ No CAS ]
C₁₇H₂₃ClN₂OSi [ No CAS ]
C₁₇H₂₄BrClN₂OSi [ No CAS ]
C₁₇H₂₄BrClN₂OSi [ No CAS ]
[ 163854-58-8 ]

Reference： [1]Journal of Organic Chemistry,2010,vol. 75,p. 980 - 983

49
[ 899806-21-4 ]
[ 4887-82-5 ]
[ 1202510-32-4 ]
C₁₆H₁₅ClN₆O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 6788 - 6792

50
[ 57-55-6 ]
[ 95-83-0 ]
[ 4887-82-5 ]
[ 2818-69-1 ]

Reference： [1]Bulletin of the Chemical Society of Japan,2010,vol. 83,p. 831 - 837

51
[ 107-21-1 ]
[ 95-83-0 ]
[ 51-17-2 ]
[ 4887-82-5 ]

Reference： [1]Bulletin of the Chemical Society of Japan,2010,vol. 83,p. 831 - 837

52
[ 617-89-0 ]
[ 4887-82-5 ]
[ 20019-52-7 ]

Reference： [1]Organic Letters,2010,vol. 12,p. 4442 - 4445

53
[ 95-83-0 ]
[ 149-73-5 ]
[ 4887-82-5 ]

Reference： [1]Journal of Fluorine Chemistry,2010,vol. 131,p. 1377 - 1381

54
[ 1227487-15-1 ]
[ 4887-82-5 ]
[ 1227866-28-5 ]
[ 1227866-27-4 ]

Yield	Reaction Conditions	Operation in experiment
		50 mg of 5-chlorobenzimidazole was dissolved in 1.5 mL of N,N-dimethylformamide, to which, under ice cooling, 18 mg of sodium hydride (oily, 50%) was added, and stirred at room temperature in an argon atmosphere for 1 hour. Then, 89 mg of 6-chloro-4-[(3,5-difluorobenzyl)amino]pyridine-3-carboxyamide (the compound of Example 20) was added, and heated at reflux for 14 hours. After cooling, water was added to the reaction mixture, extracted with ethyl acetate, the extract was washed with saturated saline, and dried on anhydrous sodium sulfate. The solvent was evaporated, and the residue was purified by silica gel column chromatography (chloroform:methanol:ammonia water=20:1:0.1 to hexane:acetone=1:1) to obtain 41 mg (yield 41%) of a mixture of the title compound (1H-NMR integral ratio 1:1) as a white solid.1H-NMR (270 MHz, DMSO-d6) delta: 4.67 (2H, s), 6.96 (1H, d, J=10.6 Hz), 7.05-7.25 (3H, m), 7.29-7.38 (1H, m), 7.53-7.69 (2H, m), 7.76 (0.5H, d, J=8.6 Hz), 7.81-7.85 (0.5H, m), 7.95 (0.5H, d, J=8.6 Hz), 8.08-8.13 (0.5H, m), 8.13-8.23 (0.5H, m), 8.30 (0.5H, d, J=8.9 Hz), 8.69 (1H, d, J=7.3 Hz), 8.97 (1H, s), 9.35 (1H, t, J=6.3 Hz).

Reference： [1]Patent: US2011/237590,2011,A1 .Location in patent: Page/Page column 120

55
[ 124-38-9 ]
[ 95-83-0 ]
[ 4887-82-5 ]

Yield	Reaction Conditions	Operation in experiment
82%	With dimethylamine borane; In water; at 100℃; under 18751.9 Torr; for 24h;Heating; Green chemistry;	General procedure: Synthesis of benzimidazole from o-phenylenediamine byCO2and DMAB in presence of Cu(at)U-g-C3N4 was carriedout in high pressure reactor equipped with an overheadstirrer. In a general experiment for the synthesis ofbenzimidazole, o-phenylenediamine (1.00mmol), DMAB(3mmol), PC:H2O (3 mL:1.5mL), Cu(at)U-g-C3N4 (20mg)were loaded into the reactor at room temperature, reactorwas sealed, flushed three times with CO2and 2.5MPa CO2pressure was loaded in to reactor, heated to required temperaturewith stirring (600rpm). After completion of thereaction, the reactor was cooled to room temperature andthe pressure was slowly released. The catalyst was separatedby fltration, washed with ethyl acetate and water.The combined mixture was concentrated in vacuo and theproducts were purified by the column chromatographywith silica gel of 100-200 mesh size and petroleum etherethylacetate used as an eluent to aford pure products The spectroscopic data of all the products werematching with those reported in the literature.
	With N,N?-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; In tetrahydrofuran; at 70℃; under 750.075 - 2250.23 Torr; for 24h;Schlenk technique; Inert atmosphere; Glovebox;	General procedure: A-Synthesis of Benzimidazole and Derivatives from Aromatic 1,2-DiaminesThe first results presented describe the synthesis of benzimidazole rings and derivatives from aromatic 1,2-diamines. In this case, the amine R1NH2 and the nitrogenous nucleophilic agent R5R6NH are two reactive functional groups of one and the same molecule (diamine) and are thus connected via a covalent bond. This bond is preferably an aromatic ring of benzene, pyridine or pyrimidine type and the ring formed during the reaction is a nitrogenous heterocycle comprising 5 atoms of imidazole type. In the case where the nucleophile is oxygen-based (R7OH), the rings obtained are benzoxazoles. The results presented were produced by preferably using two sources of different reducing agents, polymethylhydrosiloxane (PMHS), sold by Aldrich under the reference 176206, and phenylsilane (PhSiH3), sold by Aldrich. In the case of the PMHS, as a silane is a polymer, the number of equivalents introduced is given with respect to the number of hydrides introduced and thus the number of monomers introduced with respect to the amine. Thus, the introduction of 3 equivalents of PMHS corresponds to the introduction of 3 equivalents of hydride and thus 3 equivalents of monomers of the PMHS with respect to the amine. Different (pre)catalysts were tested for the reaction.

Reference： [1]Green Chemistry,2013,vol. 15,p. 95 - 99
[2]New Journal of Chemistry,2019,vol. 43,p. 14643 - 14652
[3]Catalysis Letters,2019,vol. 149,p. 347 - 359
[4]ChemCatChem,2013,vol. 5,p. 117 - 120
[5]Patent: US2015/148535,2015,A1 .Location in patent: Paragraph 0192; 0193

56
[ 4887-82-5 ]
6-styryl-1H-benzimidazole HCl salt [ No CAS ]

Reference： [1]Patent: US2013/136782,2013,A1

57
[ 4887-82-5 ]
6-styryl-1-(N,N-dimethylsulfamoyl)-benzimidazole [ No CAS ]

Reference： [1]Patent: US2013/136782,2013,A1

58
[ 4887-82-5 ]
6-styryl-1H-benzimidazole [ No CAS ]

Reference： [1]Patent: US2013/136782,2013,A1

59
[ 4887-82-5 ]
[ 13360-57-1 ]
[ 1381940-47-1 ]
5,6-dichloro-1-(N,N-dimethylsulfamoyl)-benzimidazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In water; acetonitrile; at 25℃; for 17h;	A solution of sodium hydroxide pellets (1.05 g, 26.3 mmol, 2.0 eq.) in a mixture of water (3.6 mL) and CH3CN (50 mL) was prepared in a 100 mL round bottom flask equipped with a stir bar. <strong>[4887-82-5]5-Chlorobenzimidazole</strong> (2.0 g, 13.1 mmol, 1.0 eq.) was added to this solution in four portions. N,N-Dimethylsulfamoyl chloride (CISO2NMe2, 1.4 mL, 15.0 mmol, 1.0 eq.) was then added drop-wise, and the resulting mixture was stirred at 25 C. for 17 h. The solvent was removed in vacuo, and the remaining suspension was poured onto an ice/water slurry (100 mL) and stirred for an additional 30 min. The precipitate was filtered, washed with water (3×10 mL), and dried in vacuo at 50 C. to obtain a 1:1 mixture (according to 1H NMR) of 5- and 6-chloro-1-(N,N-dimethylsulfamoyl)-benzimidazole as a white solid (3.22 g, 12.4 mmol, 95% yield). The isomers were separated by flash silica gel chromatography using a mixture of acetone:hexanes (1:2?1:1) to afford pure 6-chloro-1-(N,N-dimethylsulfamoyl)-benzimidazole as a white solid. [0203] 1H NMR (300 MHz, Acetone-d6) delta 3.03 (s, 6H), 7.41 (dd, 1H, J=8.6, 2.1 Hz), 7.77 (d, 1H, J=8.5 Hz), 7.91 (d, 2H, J=2.0 Hz), 8.47 (s, 1H); 13C NMR (75 MHz, Acetone-d6) delta 38.7, 113.8, 122.8, 125.6, 131.2, 133.6, 143.4, 143.9; ESI-MS: calculated m/z [M+H]+ 260.0256, observed m/z 260.0246.

Reference： [1]Patent: US2013/136782,2013,A1 .Location in patent: Paragraph 0201; 0202; 0203

60
[ 4545-21-5 ]
[ 4887-82-5 ]
5-chloro-1-(1-phenylethyl)-1H-benzo[d]imidazole [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2014,vol. 51,p. 349 - 356

61
[ 49844-90-8 ]
[ 4887-82-5 ]
[ 1425495-61-9 ]
C₁₂H₉ClN₄S [ No CAS ]

Reference： [1]Synlett,2014,vol. 25,p. 935 - 938

62
[ 1758-73-2 ]
[ 89-63-4 ]
[ 4887-82-5 ]

Yield	Reaction Conditions	Operation in experiment
64%	With sodium hydroxide; In ethanol; water; at 70℃; for 1h;Green chemistry;	General procedure: TUD (20 mmol) was added in batches to a solution of substituted 2-nitroanilines (5 mmol) and NaOH (20 mmol) in H2O (15 mL) and EtOH (5 mL) at 70 C. The reaction mixture was stirred for a certain period of time as required to complete the reaction (monitored byTLC). After cooling, 10% NaOH solutions were added until pH = 9-10, the precipitated solid was filtered off and washed with water to obtain crude product. The crude product was recrystallised from water to give a white solid. The physical and spectra data of the compounds 2a-h were as follows.

Reference： [1]Journal of Chemical Research,2014,vol. 38,p. 118 - 120

63
[ 527-73-1 ]
cobalt nitrate [ No CAS ]
[ 4887-82-5 ]
[ 1082741-89-6 ]

Reference： [1]CrystEngComm,2014,vol. 16,p. 4677 - 4680

64
[ 4887-82-5 ]
[ 623-47-2 ]
(E)-ethyl 3-(5-chloro-1H-benzo[d]imidazol-1-yl)acrylate [ No CAS ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 14809 - 14812

65
[ 4887-82-5 ]
[ 623-47-2 ]
4-ethyl 2-methyl 3-(5-chloro-1H-benzo[d]imidazol-1-yl)-5-phenylpyrrolidine-2,4-dicarboxylate [ No CAS ]
4-ethyl 2-methyl (2R,3S,4R,5S)-3-(5-chloro-1H-benzo[d]imidazol-1-yl)-5-phenylpyrrolidine-2,4-dicarboxylate [ No CAS ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 14809 - 14812

66
[ 95-83-0 ]
[ 68-12-2 ]
[ 4887-82-5 ]

Yield	Reaction Conditions	Operation in experiment
85%	With Imidazole hydrochloride; at 120℃; for 6h;	General procedure: To a 10mL three-necked round bottle was charged with 1a (0.54 g, 5 mmol), imidazolium chloride (0.09 g, 0.5 mmol) and N,N-dimethylformamide 2 mL. The resulting solution was warmed to120 C and stirred at this temperature for 6 h. When the reaction was completed, 25 mL water was added and the resulting mixture was extracted with 25 mL ethyl acetate twice. The combined organic layer was successively washed with H2O (50 mL) and then brine (50 mL), then dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel with petroleum ether and ethyl acetate or recrystallized from petroleum ether/EA to give the title products.

Reference： [1]RSC Advances,2015,vol. 5,p. 29447 - 29455
[2]Tetrahedron,2018,vol. 74,p. 7450 - 7456
[3]New Journal of Chemistry,2016,vol. 40,p. 8282 - 8287

67
[ 101-81-5 ]
[ 4887-82-5 ]
[ 1413430-01-9 ]
[ 1413429-91-0 ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 7154 - 7158

68
[ 64-18-6 ]
[ 610-40-2 ]
[ 4887-82-5 ]

Reference： [1]ChemSusChem,2015,vol. 8,p. 3029 - 3035

69
[ 67-56-1 ]
[ 89-63-4 ]
[ 10406-94-7 ]
[ 10394-36-2 ]
[ 4887-82-5 ]

Reference： [1]Green Chemistry,2015,vol. 17,p. 5172 - 5181

70
[ 4887-82-5 ]
[ 74-88-4 ]
[ 10406-94-7 ]
[ 10394-36-2 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 16 - 19

71
[ 4887-82-5 ]
[ 74-88-4 ]
5-chloro-1,3-dimethylbenzimidazolium iodide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 9591 - 9600

72
[ 141-32-2 ]
[ 4887-82-5 ]
n-butyl 3-(5-chloro-1H-benzo[d]imidazol-1-yl)propanoate [ No CAS ]
n-butyl 3-(6-chloro-1H-benzo[d]imidazol-1-yl)propanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With palladium diacetate; In water; at 85℃; for 24h;Sealed tube; Green chemistry;	General procedure: The general procedure with Pd(OAc)2: 1H-benzimidazole derivatives (0.5 mmol), acrylates (1 mmol), Pd(OAc)2 (0.006 g, 0.025 mmol) and deionized water (2 mL) were put into the 20 mL sealed tube. The reaction mixture was stirred at 85 C for required time. However, compound 3f was obtained in the present of 10 mol% Pd(OAc)2, that is, 6-nitro-1H-benzo[d]imidazole (0.082 g,0.5 mmol), butyl acrylate (0.128 g, 1 mmol), Pd(OAc)2 (0.012 g, 0.05 mmol). Besides, compound 3g was obtained by adding another Lewis acid LiCl, that is, 2-methyl-1H-benzo[d]imidazole (0.066 g, 0.5 mmol), butyl acrylate (0.128 g, 1 mmol), Pd(OAc)2 (0.006 g, 0.025 mmol) and LiCl (0.011 g, 0.25 mmol). After cooled to room temperature, the mixture was extracted with ethyl acetate for three times. The combined organic layers were dried over anhydrous Na2SO4 for at least 30 min and evaporated in vacuo. The desired products 3 were obtained in the corresponding yields after purification by flash chromatography on neutral Al2O3 with the eluent (EtOH/CH2Cl2/PE = 1:2:5).

Reference： [1]Chinese Chemical Letters,2016,vol. 27,p. 391 - 394

73
[ 67-56-1 ]
[ 89-63-4 ]
[ 4887-82-5 ]

Reference： [1]RSC Advances,2016,vol. 6,p. 72750 - 72755

74
[ 4887-82-5 ]
[ 451-82-1 ]
8-chloro-11H-benzo[4,5]imidazo[1,2-a]indol-11-one [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2016,vol. 14,p. 8685 - 8690

75
[ 141-32-2 ]
[ 4887-82-5 ]
(E)-butyl 3-(5-chloro-1H-benzimidazol-1-yl)acrylate [ No CAS ]
(E)-butyl 3-(6-chloro-1H-benzimidazol-1-yl)acrylate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 8806 - 8815

76
[ 887144-97-0 ]
[ 4887-82-5 ]
5-chloro-4-(trifluoromethyl)-1H-benzo[d]imidazole [ No CAS ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 1041 - 1044

77
[ 4887-82-5 ]
[ 24395-14-0 ]
C₂₂H₂₀ClN₃O₂S [ No CAS ]
C₂₂H₂₀ClN₃O₂S [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 3183 - 3191

78
[ 4887-82-5 ]
7-chloro-3-phenyl-1-tosyl-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 3183 - 3191

79
[ 4887-82-5 ]
(R)-7-chloro-3-phenyl-1-tosyl-2,3-dihydro-1H-benzo[d]-imidazo[1,2-a]imidazole [ No CAS ]
(S)-7-chloro-3-phenyl-1-tosyl-2,3-dihydro-1H-benzo[d]-imidazo[1,2-a]imidazole [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 3183 - 3191

80
[ 24395-14-0 ]
[ 4887-82-5 ]
C₂₂H₂₀ClN₃O₂S [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 3183 - 3191

81
[ 591-50-4 ]
[ 4887-82-5 ]
5-chloro-2-phenylselenobenzimidazole [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 250 - 255

82
[ 693-98-1 ]
zinc nitrate tetrahydrate [ No CAS ]
[ 4887-82-5 ]
[zinc(II)(5-chlorobenzimidazole)_1.87(2-methylimidazole)_0.08(OH)_0.05] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 6448 - 6455

83
[ 288-32-4 ]
[ 527-73-1 ]
zinc nitrate tetrahydrate [ No CAS ]
[ 4887-82-5 ]
[zinc(II)(5-chlorobenzimidazole)_0.7(2-nitroimidazole)_0.3(imidazole)] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 6448 - 6455

84
[ 288-32-4 ]
[ 527-73-1 ]
zinc nitrate tetrahydrate [ No CAS ]
[ 4887-82-5 ]
[zinc(II)(5-chlorobenzimidazole)_0.95(2-nitroimidazole)_0.6(imidazole)_0.45] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 6448 - 6455

85
[ 4887-82-5 ]
C₃₉H₃₁N₃ [ No CAS ]

Reference： [1]Patent: JP2017/19730,2017,A

86
[ 4887-82-5 ]
C₁₉H₁₄N₂ [ No CAS ]

Reference： [1]Patent: JP2017/19730,2017,A

87
[ 4887-82-5 ]
C₂₂H₂₀BrN₂⁽¹⁺⁾*Br^(1-) [ No CAS ]

Reference： [1]Patent: JP2017/19730,2017,A

88
[ 4887-82-5 ]
C₃₉H₃₃N₃⁽²⁺⁾*2Br^(1-) [ No CAS ]

Reference： [1]Patent: JP2017/19730,2017,A

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Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 4887-82-5 ] {[proInfo.proName]}

Quality Control of [ 4887-82-5 ]

Related Doc. of [ 4887-82-5 ]

Product Details of [ 4887-82-5 ]

Calculated chemistry of [ 4887-82-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 4887-82-5 ]

Application In Synthesis of [ 4887-82-5 ]

[ 4887-82-5 ] Synthesis Path-Upstream 1~19

[ 4887-82-5 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 4887-82-5 ]

Chlorides

Related Parent Nucleus of [ 4887-82-5 ]

Benzimidazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 4887-82-5 ]

Related Parent Nucleus of
[ 4887-82-5 ]