[ CAS No. 1746-25-4 ] {[proInfo.proName]}

Name: 1746-25-4|2,4,5-Triiodo-1H-imidazole|98%
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SKU: A795120
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Quality Control of [ 1746-25-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1746-25-4 ]

Product Details of [ 1746-25-4 ]

CAS No. :	1746-25-4	MDL No. :	MFCD00068812
Formula :	C₃HI₃N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HIDCNJIBRZBEPN-UHFFFAOYSA-N
M.W :	445.77	Pubchem ID :	74459
Synonyms :

Calculated chemistry of [ 1746-25-4 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.74
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) :	-7.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.57
Log Po/w (XLOGP3) :	2.12
Log Po/w (WLOGP) :	2.22
Log Po/w (MLOGP) :	2.13
Log Po/w (SILICOS-IT) :	4.21
Consensus Log Po/w :	2.45

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.4
Solubility :	0.0177 mg/ml ; 0.0000396 mol/l
Class :	Moderately soluble
Log S (Ali) :	-2.35
Solubility :	1.98 mg/ml ; 0.00443 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.96
Solubility :	0.0483 mg/ml ; 0.000108 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.73

Safety of [ 1746-25-4 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501	UN#:	2811
Hazard Statements:	H301-H315-H319	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1746-25-4 ]

* 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 [ 1746-25-4 ]
Downstream synthetic route of [ 1746-25-4 ]

[ 1746-25-4 ] Synthesis Path-Upstream 1~2

1
[ 1746-25-4 ]
[ 71759-89-2 ]

Yield	Reaction Conditions	Operation in experiment
55%	With sodium sulfite In N,N-dimethyl-formamide at 110℃; Inert atmosphere	2,4,5-triiodo-1H-imidazole was reacted with Na₂SO₃in DMF (250 mL) and stirring at 110° C. for over night under N₂atmosphere. The reactin mixture was filtered, the filtrate was concentrated and poured into water, then extracted with EtOAc, the organic was washed with water, dried over Na₂SO₄, concentrated and purified by silica gel column to give 4-iodo-1H-imidazole (Yield=55percent). LC-MS: m/z=195 [M+H⁺]

Reference： [1] Patent: US2012/245144, 2012, A1, . Location in patent: Page/Page column 118
[2] Journal of Medicinal Chemistry, 1996, vol. 39, # 15, p. 3001 - 3013
[3] Patent: WO2006/38100, 2006, A1, . Location in patent: Page/Page column 78

2
[ 1746-25-4 ]
[ 15813-09-9 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1987, p. 1437 - 1444

[ 1746-25-4 ] Synthesis Path-Downstream 1~27

1
[ 288-32-4 ]
[ 1746-25-4 ]

Yield	Reaction Conditions	Operation in experiment
100%	With iodine; sodium carbonate; In 1,4-dioxane; water; at 20℃; for 24h;	To a slightly yellow homogeneous solution of imidazole (5.000 g; 73.444 mmol) in dioxane (135 ml) and distilled water (135 ml) was added successively, at rt (in one portion), sodium carbonate (35.029 g; 330.500 mmol), and iodine (61.515 g; 242.366 mmol). The resulting brown heterogeneous reaction mixture was further stirred at rt, under nitrogen, for 24h. EA (250 ml) was then added followed by an aq. solution of sodium thiosulfate (22.50 g Na2S2O3 in 150 ml of water). The yellow homogeneous organic layer was then dried over anh. MgSO4, filtered, and concentrated to dryness under reduced pressure to give the crude product 2, 4, 5-triiodo-1 /-/-imidazole as a yellow solid which was further dried under HV (32.700 g; 100%). LC-MS: tR = 0.78 min.; [M+H]+ = 447.03 g/mol.
97%	With dihydrogen peroxide; iodine; In water; at 50℃; for 24h;Green chemistry;	General procedure: To a suspension of the appropriate aromatic or heteroaromatic compound (1a- j) (2 mmol) and molecular iodine (1-4 mmol) in distilled water (10 mL) was added hydrogen peroxide 30% (m/v) (2-8 mmol). The mixture was maintained under stirring at 50 C for 24 h. Afterwards, a saturated sodium thiosulfate aqueous solution (10 mL) was added to the mixture, which was extracted with ethyl acetate (3 20 mL). The organic phase was dried over MgSO4. After filtration, the solvent was evaporated under reduced pressure. The residue was purified by column chromatography on silica gel using an appropriate eluent, affording the desired product
95%	With dihydrogen peroxide; iodine; In water; for 0.5h;Sonication;	General procedure: General Procedure for Ultrasound-Promoted Iodination of Aromaticand Heteroaromatic Compounds: Hydrogen peroxide 30% (m/v) (4-8 mmol) was added to a suspension of theappropriate aromatic or heteroaromatic compound (1a-q) (2 mmol) and moleculariodine (2-4 mmol) in distilled water (10 mL). The mixture was sonicated and the progressof reaction was monitored by thin-layer chromatography (TLC). Afterward, asaturated sodium thiosulfate aqueous solution (10 mL) was added to the mixture,which was extracted with ethyl acetate (320mL). The organic phase was dried overMgSO4. After filtration, the solvent was evaporated under reduced pressure. The residuewas purified by column chromatography on silica gel using an appropriate eluent,affording the desired product (2a-q).

46%	With N-iodo-succinimide; In N,N-dimethyl-formamide; at 20℃; for 4h;	To a mixture of 1H-Imidazole (50 g, 0.73 mol) in DMF (200 mL) was added NIS (328 g, 1.46 mol) portionwise, the reaction mixture was stirred at room temperature for 4 hours. The reaction mixture was poured in sat. Na2CO3 solution, filtered, the residue was washed with water and dried to give 150 g of 2,4,5-triiodo-1H-imidazole (Yield=46%).
	With sodium hydroxide; iodine; In chloroform; water; at 20℃; for 12h;	A solution of imidazole (10 g) in aqueous sodium hydroxide (2 M) (360 mL) was added to a solution of iodine (74.6 g) in chloroform (360 mL). The reaction mixture was stirred at room temperature for 12 hours. The organic layer was separated from the aqueous layer and the aqueous layer was neutralized with 50 % aqueous acetic acid solution. A solid that separated out was filtered and dried to yield the title compound (48 g).

Reference： [1]Patent: WO2008/78291,2008,A1 .Location in patent: Page/Page column 71
[2]Tetrahedron Letters,2012,vol. 53,p. 5372 - 5375
[3]Tetrahedron Letters,1998,vol. 39,p. 6849 - 6852
[4]Synthetic Communications,2014,vol. 44,p. 2094 - 2102
[5]Monatshefte fur Chemie,2012,vol. 143,p. 619 - 623
[6]Canadian Journal of Chemistry,2001,vol. 79,p. 1110 - 1114
[7]Journal of the Chemical Society. Perkin transactions I,1983,p. 735 - 739
[8]Patent: US2012/245144,2012,A1 .Location in patent: Page/Page column 118
[9]Tetrahedron,2008,vol. 64,p. 234 - 239
[10]Patent: DE223303,
Fortschr. Teerfarbenfabr. Verw. Industriezweige,vol. 10,p. 1135
[11]Journal of the Chemical Society. Perkin transactions I,1980,p. 2866 - 2869
[12]Journal of the Chemical Society. Perkin transactions I,1982,p. 681 - 684
[13]Journal of Medicinal Chemistry,1996,vol. 39,p. 3001 - 3013
[14]Journal of Organic Chemistry,2007,vol. 72,p. 3741 - 3749
[15]Patent: WO2006/38100,2006,A1 .Location in patent: Page/Page column 78
[16]Journal of Organic Chemistry,2014,vol. 79,p. 9586 - 9593

2
[ 1746-25-4 ]
[ 75-03-6 ]
1-ethyl-2,4,5-triiodo-1H-imidazole [ No CAS ]

Reference： [1]Chemische Berichte,1910,vol. 43,p. 2254

3
[ 1746-25-4 ]
[ 1745-82-0 ]

Reference： [1]Chemische Berichte,1910,vol. 43,p. 2254

4
[ 1746-25-4 ]
[ 3587-60-8 ]
[ 134420-44-3 ]

Reference： [1]Journal of Organic Chemistry,1991,vol. 56,p. 4296 - 4300

5
[ 1746-25-4 ]
[ 3188-13-4 ]
[ 87020-15-3 ]
[ 87020-14-2 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1983,p. 735 - 739

6
[ 1746-25-4 ]
[ 15813-09-9 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1987,p. 1437 - 1444

7
[ 1746-25-4 ]
[ 71759-89-2 ]

Yield	Reaction Conditions	Operation in experiment
55%	With sodium sulfite; In N,N-dimethyl-formamide; at 110℃;Inert atmosphere;	2,4,5-triiodo-1H-imidazole was reacted with Na2SO3 in DMF (250 mL) and stirring at 110 C. for over night under N2 atmosphere. The reactin mixture was filtered, the filtrate was concentrated and poured into water, then extracted with EtOAc, the organic was washed with water, dried over Na2SO4, concentrated and purified by silica gel column to give 4-iodo-1H-imidazole (Yield=55%). LC-MS: m/z=195 [M+H+]
	With sodium sulfite; In ethanol; water; at 80℃; for 24h;	To the compound (35 g) obtained from the step a above in ethanol was added a saturated aqueous solution of sodium sulfite. The reaction mixture was refluxed at 80 0C for 24 hours, filtered and the filtrate was evaporated in vacuo to remove ethanol. The residual aqueous layer was extracted with ethyl acetate, dried over anhydrous sodium sulfate. The solvent removal in vacuo yielded the title compound (5.5 g)

Reference： [1]Patent: US2012/245144,2012,A1 .Location in patent: Page/Page column 118
[2]Journal of Medicinal Chemistry,1996,vol. 39,p. 3001 - 3013
[3]Patent: WO2006/38100,2006,A1 .Location in patent: Page/Page column 78

8
[ 1746-25-4 ]
[ 76513-69-4 ]
[ 184637-03-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1996,vol. 44,p. 1831 - 1839

9
[ 1746-25-4 ]
[ 19183-12-1 ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,1998,vol. 41,p. 47 - 51

10
[ 1746-25-4 ]
[ 76513-69-4 ]
[ 216314-79-3 ]

Reference： [1]Heterocycles,1998,vol. 48,p. 1887 - 1901

12
[ 1746-25-4 ]
[ 64-17-5 ]
sodium sulfite [ No CAS ]
[ 3034-62-6 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1928,vol. <2> 118,p. 35,41

13
[ 623-11-0 ]
[ 1072-84-0 ]
[ 7553-56-2 ]
[ 1746-25-4 ]

Reference： [1]Chemische Berichte,1937,vol. 70,p. 575

14
[ 1746-25-4 ]
[ 71759-89-2 ]

Reference： [1]Canadian Journal of Chemistry,2001,vol. 79,p. 1110 - 1114

15
[ 1746-25-4 ]
[ 98-59-9 ]
[ 899422-33-4 ]

Reference： [1]Heterocycles,2006,vol. 68,p. 1393 - 1400

16
[ 1746-25-4 ]
[ 39684-80-5 ]
[ 1036397-08-6 ]

Yield	Reaction Conditions	Operation in experiment
44%		Intermediate 811 ,1 -Dimethylethyl [2-(2,4,5-triiod -1 H-imidazol-1 -yl)ethyl]carbamateSodium hydride, (60% in mineral oil, 90 mg, 2.24 mmol) was added portionwise to a stirred solution of <strong>[1746-25-4]2,4,5-<strong>[1746-25-4]triiodoimidazole</strong></strong> (1 g, 2.24 mmol) in dry DMF (10 mL) at room temperature under nitrogen. After complete addition the reaction mixture was stirred at room temperature for 15 min. The mixture was then treated with 1 ,1 -dimethylethyl (2- bromoethyl)carbamate (503 mg, 2.24 mmol). The resulting mixture was stirred at 100C for 16 h then cooled to room temperature and partitioned between Et20 (50 mL) and water (50 mL). The two layers were separated and the aqueous phase was extracted with Et20 (50 mL). The combined organic phases were washed with brine, dried over MgS04 and concentrated in vacuo. Purification of the residue by flash chromatography on silica gel (gradient: 0 to 5% MeOH in DCM) gave a yellow oil which was further purified by flash chromatography on silica gel (gradient: 30 to 60% AcOEt in Hexanes) to give 1 ,1 - dimethylethyl [2-(2,4,5-triiodo-1 /-/-imidazol-1 -yl)ethyl]carbamate (580 mg, 0.985 mmol, 44%) as a colourless oil. LCMS (method G): Retention time 1 .04 min, [M+H]+ = 590.9
44%		Sodium hydride, (60% in mineral oil, 90 mg, 2.24 mmol) was added portionwise to a stirred solution of <strong>[1746-25-4]2,4,5-<strong>[1746-25-4]triiodoimidazole</strong></strong> (1 g, 2.24 mmol) in dry DMF (10 mL) at room temperature under nitrogen. After complete addition the reaction mixture was stirred at room temperature for 15 min. The mixture was then treated with 1,1-dimethylethyl (2-bromoethyl)carbamate (503 mg, 2.24 mmol). The resulting mixture was stirred at 100 C. for 16 h then cooled to room temperature and partitioned between Et2O (50 mL) and water (50 mL). The two layers were separated and the aqueous phase was extracted with Et2O (50 mL). The combined organic phases were washed with brine, dried over MgSO4 and concentrated in vacuo. Purification of the residue by flash chromatography on silica gel (gradient: 0 to 5% MeOH in DCM) gave a yellow oil which was further purified by flash chromatography on silica gel (gradient: 30 to 60% AcOEt in Hexanes) to give 1,1-dimethylethyl [2-(2,4,5-triiodo-1H-imidazol-1-yl)ethyl]carbamate (580 mg, 0.985 mmol, 44%) as a colourless oil. LCMS (method G): Retention time 1.04 min, [M+H]+=590.9
42%		To a yellow solution of 2,4, 5-triiodo-1 /-/-imidazole (15.295 g; 34.313 mmol) in anhydrous DMF (200 ml) was added portionwise, at rt, 55-65% sodium hydride moistened with oil (2.058 g; 51.469 mmol). The resulting mixture was further stirred at rt, under nitrogen, for 20 min. The mixture was then heated to 1000C, and a colorless homogeneous solution of 2-(Boc-amino)-ethylbromide (11.534 g; 51.469 mmol) in anhydrous DMF (100 ml) was added dropwise, over 1 h, with an addition funnel. After completion of the addition, the resulting mixture was further heated at 1000C for 1 h. The reaction mixture was cooled to 00C, and water (200 ml) was added slowly. This mixture was extracted with ether (5 x 200 ml). The combined organic layers were washed with brine (100 ml), dried over anh. MgSO4, filtered, and concentrated to dryness under reduced pressure to give a yellow oil. The crude was purified by FC (heptane / EA = 3 / 2) to give the pure product [2-(2,4,5- triiodo-imidazol-1-yl)-ethyl]-carbamic acid tert-butyl ester as a colorless solid which was further dried under HV (8.540 g; 42%). LC-MS: tR = 0.93 min.; [M+H]+ = 589.89 g/mol.

Reference： [1]Patent: WO2011/54841,2011,A1 .Location in patent: Page/Page column 83-84
[2]Patent: US2012/208798,2012,A1 .Location in patent: Page/Page column 37
[3]Patent: WO2008/78291,2008,A1 .Location in patent: Page/Page column 71

18
[ 1746-25-4 ]
[ 1436856-53-9 ]
[ 918642-54-3 ]

Yield	Reaction Conditions	Operation in experiment
35%		Step 2: 2,4,5-Triiodo-1-(2-(pyrrolidin-1-yl)ethyl)-1H-imidazole (166); To a solution of <strong>[1746-25-4]2,4,5-triiodo-1H-imidazole</strong> (165) (4.08 g, 9.1 mmol) in DMF (28 mL) at 0 C., was added NaH (1.46 g, 36.4 mmol) portionwise over 30 mins. Then 1-(2-iodoethyl)pyrrolidine×HI 164 (4.85 g, 13.65 mmol) was added at 0 C., and the reaction mixture was allowed to warm to room temperature over a period of 4 hrs. EtOAc (50 mL) was added and the mixture was washed with NaHCO3 aqueous solution. The organic phase was separated and extracted with citric acid solution (3%), the acidic aqueous extract was basified with 2N NaOH solution to pH?10, the resultant solid was collected by filtration to give the title compound 166 (1.75 g, 35%) as a light brown solid. MS (m/z): 543.5 (M+H).

Reference： [1]Patent: US2007/4675,2007,A1 .Location in patent: Page/Page column 113-114

19
[ 1746-25-4 ]
[ 74-88-4 ]
[ 37067-97-3 ]

Reference： [1]Chemistry - A European Journal,2013,vol. 19,p. 7503 - 7509

20
[ 1746-25-4 ]
[ 108-77-0 ]
[ 1443666-87-2 ]

Reference： [1]Chemistry - A European Journal,2013,vol. 19,p. 7503 - 7509

21
[ 1746-25-4 ]
[ 1443666-90-7 ]

Reference： [1]Chemistry - A European Journal,2013,vol. 19,p. 7503 - 7509

22
[ 1746-25-4 ]
bromoacetate [ No CAS ]
[ 1443666-85-0 ]

Reference： [1]Chemistry - A European Journal,2013,vol. 19,p. 7503 - 7509

23
[ 1746-25-4 ]
[ 100-39-0 ]
1-benzyl-2,4,5-triiodo-1H-imidazole [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 9586 - 9593

24
[ 1746-25-4 ]
[ 13126-15-3 ]
1,3-bis(2,4,5-triiodoimidazolyl)-2-nitro-2-azapropane [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 13547 - 13552

25
[ 1746-25-4 ]
[ 13126-16-4 ]
1,5-bis(2,4,5-triiodoimidazolyl)-2,4-dinitro-2,4-diazapentane [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 13547 - 13552

26
[ 1746-25-4 ]
[ 13126-17-5 ]
1,7-bis(2,4,5-triiodoimidazolyl)-2,4,6-trinitro-2,4,6-triazaheptane [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 13547 - 13552

27
[ 1746-25-4 ]
[ 4167-16-2 ]
1,3-bis(2,4,5-triiodoimidazolyl)-2,2-dinitropropane [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 13547 - 13552

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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. 1746-25-4 ] {[proInfo.proName]}

Quality Control of [ 1746-25-4 ]

Related Doc. of [ 1746-25-4 ]

Product Details of [ 1746-25-4 ]

Calculated chemistry of [ 1746-25-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1746-25-4 ]

Application In Synthesis of [ 1746-25-4 ]

[ 1746-25-4 ] Synthesis Path-Upstream 1~2

[ 1746-25-4 ] Synthesis Path-Downstream 1~27

Related Functional Groups of [ 1746-25-4 ]

Iodides

Related Parent Nucleus of [ 1746-25-4 ]

Imidazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 1746-25-4 ]

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[ 1746-25-4 ]