[ CAS No. 1889-71-0 ] {[proInfo.proName]}

Name: 1889-71-0|Benzyl 4-chlorophenyl ketone|95%
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Quality Control of [ 1889-71-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1889-71-0 ]

SDS Specification

Alternatived Products of [ 1889-71-0 ]

Product Details of [ 1889-71-0 ]

CAS No. :	1889-71-0	MDL No. :	MFCD00016342
Formula :	C₁₄H₁₁ClO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DXVALSKCLLBZEB-UHFFFAOYSA-N
M.W :	230.69	Pubchem ID :	233840
Synonyms :

Calculated chemistry of [ 1889-71-0 ]

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.07
Num. rotatable bonds :	3
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	66.13
TPSA :	17.07 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.45
Log Po/w (XLOGP3) :	3.81
Log Po/w (WLOGP) :	3.77
Log Po/w (MLOGP) :	3.78
Log Po/w (SILICOS-IT) :	4.39
Consensus Log Po/w :	3.64

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.03
Solubility :	0.0216 mg/ml ; 0.0000938 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.86
Solubility :	0.0316 mg/ml ; 0.000137 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.89
Solubility :	0.000297 mg/ml ; 0.00000129 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.55

Safety of [ 1889-71-0 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P261-P272-P280-P305+P351+P338-P310-P302+P352-P363-P403-P501	UN#:	3077
Hazard Statements:	H317-H318	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1889-71-0 ]

* 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.

Downstream synthetic route of [ 1889-71-0 ]

[ 1889-71-0 ] Synthesis Path-Downstream 1~88

1
[ 87-48-9 ]
[ 1889-71-0 ]
6-bromo-2-(4-chloro-phenyl)-3-phenyl-quinoline-4-carboxylic acid [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1953,vol. 18,p. 1209,1219

2
[ 108-90-7 ]
[ 103-80-0 ]
[ 1889-71-0 ]

Yield	Reaction Conditions	Operation in experiment
	With aluminum (III) chloride; In dichloromethane; at 20℃; for 3h;	To a mixture of compound 378B (1.54 g, 10 mmol) and chlorobenzene (1.45 g, 13 mmol) in dichloromethane (10 mL) was added AlCb (1.73 g, 13 mmol). The mixture was stirred at room temperature for 3 hours, poured into water (100 mL), and extracted with ethyl acetate (50 mL x 3). The combined organic layers was washed with brine (50 mL), dried over anhydrous sodium sulfate, concentrated, and purified with flash column chromatography on silica gel (ethyl acetate in petroleum ether, from 10% v/v) to afford Compound 378C. LC-MS (ESI) m/z: 231 [M+H]+.

Reference： [1]Journal of Organic Chemistry,2004,vol. 69,p. 6953 - 6956
[2]Tetrahedron Letters,2015,vol. 56,p. 1575 - 1580
[3]Journal of Medicinal Chemistry,2003,vol. 46,p. 1870 - 1877
[4]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,2006,vol. 45,p. 1080 - 1085
[5]Phosphorus, Sulfur and Silicon and the Related Elements,2005,vol. 180,p. 1593 - 1600
[6]Journal of the Chemical Society. Perkin transactions I,1972,p. 1276 - 1281
[7]Archiv der Pharmazie,1993,vol. 326,p. 45 - 50
[8]Journal of applied chemistry of the USSR,1991,vol. 64,p. 530 - 535
Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation),1991,vol. 64,p. 592 - 599
[9]Heterocycles,2002,vol. 57,p. 39 - 46
[10]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 1881 - 1893
[11]Journal of Organic Chemistry,2010,vol. 75,p. 1162 - 1167
[12]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 2886 - 2894
[13]Patent: WO2019/133770,2019,A2 .Location in patent: Paragraph 001879; 001880; 001882

3
[ 100-63-0 ]
[ 1889-71-0 ]
[ 144054-14-8 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1949,vol. 68,p. 441,458

4
[ 619-56-7 ]
[ 6921-34-2 ]
[ 1889-71-0 ]

Reference： [1]Journal of the American Chemical Society,1934,vol. 56,p. 682

5
[ 4452-11-3 ]
[ 1889-71-0 ]
[ 855365-06-9 ]

Reference： [1]Journal of the American Chemical Society,1955,vol. 77,p. 984,987

6
[ 50-00-0 ]
[ 25150-61-2 ]
[ 1889-71-0 ]
[ 40281-27-4 ]

Reference： [1]Journal of the Chemical Society,1958,p. 312,315

7
[ 50-00-0 ]
[ 1889-71-0 ]
[ 59074-25-8 ]

Reference： [1]Chemische Berichte,1956,vol. 89,p. 27,36
[2]Organic and Biomolecular Chemistry,2010,vol. 8,p. 3287 - 3293

8
[ 50-00-0 ]
[ 1889-71-0 ]
1,5-bis-(4-chloro-phenyl)-2,4-diphenyl-pentane-1,5-dione [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1955,vol. 77,p. 984,987

9
[ 109-95-5 ]
[ 1889-71-0 ]
4-chloro-benzil-α'-oxime [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1951,vol. 73,p. 992

10
[ 1889-71-0 ]
[ 1889-78-7 ]

Yield	Reaction Conditions	Operation in experiment
91%	With copper(II) nitrate trihydrate; hydrogen bromide; oxygen; In acetic acid; at 60℃; for 4.5h;Green chemistry;	The representative example of oxidative bromination is described as follows: A mixture of 1.2 g acetophenone 1a (10 mmol) and 0.121 g Cu(NO3)2?3H2O (0.5mmol) was stirred and an oxygen balloon (about 0.5-1 L) was attached to the reaction system. Then 8mol/L aqueous solution of hydrobromic acid (1.5mL, 12mmol) was added dropwise to the mixture. The reaction mixture was then stirred at 70C and monitored by TLC or GC. After the completion of the reaction, the mixture was extracted with CH2Cl2. The organic extract was first washed with 5% sodium sulfite, saturated sodium bicarbonate solution, and then water and finally dried over anhydrous magnesium sulfate. The solvent was removed under vacuum and the residue was purified by column chromatography (silica gel, petroleum ether/dichloromethane 3:1) to afford the product, alpha-bromoacetophenone (2a) in 1.81 g, yield: 91%.
67%	With bromine; In benzene; at 20℃; for 2h;	To a solution of l-(4-Chlorophenyl)-2-phenyl ethanone, prepared following literature (J. Med. Chem., 2004, 47, P627), (500 mg, 2.17 mmol) in benzene (15 mL), was added bromine (347 mg, 2.17 mmol) slowly at room temperature and the resultant solution was continued to stirr for 2 hrs. at the same temperature. After removing the volatile matters on rotary evaporator the residue was dissolved in dichloromethane and washed with saturated sodium bicarbonate solution. The organic phase was dried over sodium sulfate and concentrated. The residue was then subjected <n="40"/>to silica gel column chromatography and the pure compound (450 mg, 67%) was isolated using ethyl acetate and petroleum ether as mixture. 1H NMR (CDCl3, 300 MHz, ppm): delta 7.94-7.91 (dd, J= 6.9 Hz and 1.8 Hz, 2H); 7.52- 7.49 (dd, J= 7.5Hz and 1.2 Hz, 2H); 7.44-7.33(m, 5H); 6.31 (s, IH).
	With bromine; In chloroform; for 4h;Reflux;	General procedure: Bromine (3.8mmol) was added dropwise to a solution of 11 (2.5mmol) in freshly distilled 44 CHCl3 (10mL). The mixture was heated under reflux until conversion was complete (monitored by TLC). After cooling, the solvent was evaporated under reduced pressure to provide a residue that was purified via column chromatography (silica gel, cyclohexane) to yield pure 24 alpha-bromoketone 12. Yields 70-85%.

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 2831 - 2838
[2]Synthetic Communications,2016,vol. 46,p. 165 - 168
[3]Journal of Heterocyclic Chemistry,2013,vol. 50,p. 727 - 733
[4]Patent: WO2007/86080,2007,A2 .Location in patent: Page/Page column 38-39
[5]Journal of the American Chemical Society,1934,vol. 56,p. 682
[6]Archiv der Pharmazie,1993,vol. 326,p. 45 - 50
[7]Archiv der Pharmazie,1992,vol. 325,p. 779 - 783
[8]Journal of Medicinal Chemistry,2010,vol. 53,p. 77 - 105
[9]Journal of Heterocyclic Chemistry,2011,vol. 48,p. 1175 - 1180
[10]Bioorganic Chemistry,2019,vol. 84,p. 276 - 284
[11]Journal of Medicinal Chemistry,2019,vol. 62,p. 8443 - 8460

11
[ 1889-71-0 ]
[ 5172-02-1 ]

Reference： [1]Journal of Organic Chemistry,1958,vol. 23,p. 665
[2]Tetrahedron Letters,2001,vol. 42,p. 3105 - 3107

12
[ 1889-71-0 ]
[ 22711-23-5 ]

Yield	Reaction Conditions	Operation in experiment
	With iodine; dimethyl sulfoxide; copper(II) oxide; at 100℃; for 4h;	General procedure: A stirred solution of deoxybenzoin 1a (196 mg, 1.0 mmol), CuO (88 mg, 1.1 mmol), and iodine (279 mg, 1.1 mmol) was heated at 100 C for 4 h in DMSO (3 mL), after the disappearance of the starting material (TLC), 1,2-diamine 2a (324 mg, 3.0 mmol) was added and stirred for another 1 h. Then the reaction mixture was poured into 50 mL brine and the aqueous layer was extracted with EtOAc (3×50 mL). The extract was washed with Na2S2O3 solution, dried over anhydrous Na2SO4 then the solvent was removed under reduced pressure. The residue was purified by column chromatography on silica gel using petroleum ether/EtOAc as the eluent to give the expected products 3aa as the yellow solid (240 mg, 85% yield).

Reference： [1]Synthesis,2011,p. 387 - 396
[2]Chemical Communications,2015,vol. 51,p. 15438 - 15441
[3]Tetrahedron Letters,2015,vol. 56,p. 1575 - 1580
[4]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,2006,vol. 45,p. 1080 - 1085
[5]Journal of the Chemical Society,1936,p. 93
[6]Chemische Berichte,1962,vol. 95,p. 2885 - 2895
[7]Chemistry - A European Journal,2004,vol. 10,p. 2159 - 2165
[8]Chemistry - A European Journal,2004,vol. 10,p. 2159 - 2165
[9]Archiv der Pharmazie,1993,vol. 326,p. 45 - 50
[10]Synlett,2012,vol. 23,p. 1025 - 1030
[11]Tetrahedron,2012,vol. 68,p. 9598 - 9605
[12]RSC Advances,2018,vol. 8,p. 37557 - 37563

13
[ 1889-71-0 ]
[ 28831-68-7 ]

Reference： [1],1929,p. 395

14
[ 1889-71-0 ]
4,α,α-trichloro-bibenzyl [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1958,vol. 23,p. 665

15
[ 1889-71-0 ]
1-(4-chloro-phenyl)-2-phenyl-tetradecan-1-one [ No CAS ]

Reference： [1]Patent: DE719788,1937,
DRP/DRBP Org.Chem.,

16
[ 1889-71-0 ]
1,2-diphenyl-octadecan-1-one [ No CAS ]

Reference： [1]Patent: DE719788,1937,
DRP/DRBP Org.Chem.,

17
[ 623-03-0 ]
benzyltri-n-butylphosphonium iodide [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Journal of the American Chemical Society,1967,vol. 89,p. 7009 - 7014

18
[ 62-55-5 ]
[ 1889-71-0 ]
[ 87947-15-7 ]

Reference： [1]Indian Journal of Chemistry,1966,vol. 4,p. 24 - 26

19
[ 103-82-2 ]
[ 108-90-7 ]
[ 1889-71-0 ]

Reference： [1]Chemische Berichte,1962,vol. 95,p. 2885 - 2895
[2]Synthetic Communications,1980,vol. 10,p. 573 - 580

20
[ 74-88-4 ]
[ 1889-71-0 ]
[ 126866-24-8 ]

Reference： [1]Patent: BE637389,1964,
Chem.Abstr.,1965,vol. 62

21
[ 593-60-2 ]
[ 1889-71-0 ]
[ 67946-08-1 ]

Reference： [1]Tetrahedron,1978,vol. 34,p. 689 - 696

22
[ 1889-71-0 ]
[ 69643-34-1 ]

Reference： [1]Synthesis,1979,p. 524 - 525

23
[ 908094-04-2 ]
[ 104-88-1 ]
[ 1889-71-0 ]

Reference： [1]Journal of Organic Chemistry,1983,vol. 48,p. 4407 - 4410
[2]Bulletin des Societes Chimiques Belges,1981,vol. 90,p. 985 - 986

24
[ 5681-31-2 ]
[ 1889-71-0 ]

Reference： [1]Journal of Organic Chemistry,1983,vol. 48,p. 4097 - 4098

25
[ 39774-18-0 ]
[ 6332-83-8 ]
[ 1889-71-0 ]

Reference： [1]Synthetic Communications,1986,vol. 16,p. 377 - 386

26
[ 100-39-0 ]
[ 122-01-0 ]
[ 1889-71-0 ]

Reference： [1]Chemistry Letters,1981,p. 1135 - 1138

27
[ 77863-85-5 ]
[ 1889-71-0 ]

Reference： [1]Tetrahedron Letters,1981,vol. 22,p. 123 - 126
[2]Chemical and pharmaceutical bulletin,1981,vol. 29,p. 2496 - 2502

28
[ 72867-63-1 ]
[ 1889-71-0 ]

Reference： [1]Journal of Organic Chemistry,1980,vol. 45,p. 1301 - 1308

30
[ 122-01-0 ]
[ 131973-46-1 ]
[ 1889-71-0 ]

Reference： [1]Journal of Organic Chemistry,1992,vol. 57,p. 774 - 777

31
[ 68-11-1 ]
[ 1889-71-0 ]
2-Benzyl-2-(4-chloro-phenyl)-[1,3]oxathiolan-5-one [ No CAS ]

Reference： [1]Collection of Czechoslovak Chemical Communications,1993,vol. 58,p. 1208 - 1212

32
[ 1576-35-8 ]
[ 1889-71-0 ]
C₂₁H₁₉ClN₂O₂S [ No CAS ]

Reference： [1]Journal of the Indian Chemical Society,1988,vol. 65,p. 564 - 566
[2]Organic Letters,2015,vol. 17,p. 1692 - 1695
[3]Journal of the American Chemical Society,2018,vol. 140,p. 10663 - 10668

33
2-(4-Chloro-phenyl)-1,3-diphenyl-propan-2-ol [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Synthetic Communications,1982,vol. 12,p. 141 - 150

34
[ 7040-23-5 ]
[ 1889-71-0 ]
[ 74314-13-9 ]
[ 74314-14-0 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1980,vol. 322,p. 42 - 48
[2]Journal fur praktische Chemie (Leipzig 1954),1980,vol. 322,p. 42 - 48

35
[ 593-56-6 ]
[ 1889-71-0 ]
1-(4-Chloro-phenyl)-2-phenyl-ethanone O-methyl-oxime [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1938 - 1946

36
[ 1889-71-0 ]
[ 31233-66-6 ]

Yield	Reaction Conditions	Operation in experiment
94%	With sodium tetrahydroborate; In methanol; dichloromethane; at 20℃; for 24h;	Commercial <strong>[1889-71-0]1-(4-chlorophenyl)-2-phenylethanone</strong> (2.0g, 8.7mmol) was solubilized in CH2Cl2/ MeOH 50:50 (400mL), then NaBH4 (0.8g, 21.2mmol) was added in small portions. After 24hat RT the solvents were removed under reduced pressure; the crude mixture was neutralized with aqueous HCl 10% and extracted with EtOAc (2×25mL). The organic layers were dried over Na2SO4 and purified by silica gel column chromatography using EtOAc/ n-hexane 20:80 to give a waxy solid (1.9g, 94%);

Reference： [1]Synthetic Communications,1980,vol. 10,p. 573 - 580
[2]European Journal of Medicinal Chemistry,2016,vol. 121,p. 169 - 180
[3]Tetrahedron Asymmetry,2003,vol. 14,p. 3755 - 3760
[4]Journal of Molecular Catalysis B: Enzymatic,2011,vol. 70,p. 61 - 66
[5]Angewandte Chemie - International Edition,2017,vol. 56,p. 12619 - 12623
Angew. Chem.,2017,vol. 129,p. 12793 - 12797,5
[6]Journal of the Chemical Society. Perkin transactions I,1976,p. 1190 - 1195
[7]Angewandte Chemie - International Edition,2019,vol. 58,p. 17393 - 17398
Angew. Chem.,2019,vol. 131,p. 17554 - 17559,6

37
[ 1889-71-0 ]
[ 22711-23-5 ]
[ 39774-18-0 ]
[ 100-52-7 ]
[ 65-85-0 ]
[ 74-11-3 ]

Reference： [1]Journal of applied chemistry of the USSR,1991,vol. 64,p. 530 - 535
Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation),1991,vol. 64,p. 592 - 599

38
[ 1889-71-0 ]
[ 36122-13-1 ]

Reference： [1]Chemistry - A European Journal,2015,vol. 21,p. 11335 - 11339
[2]European Journal of Organic Chemistry,2015,vol. 2015,p. 876 - 885
[3]Journal of the Chemical Society. Perkin transactions I,1972,p. 1276 - 1281

39
[ 110220-78-5 ]
[ 1889-71-0 ]

Reference： [1]Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical,1989,vol. 28,p. 523 - 525

40
[ 87273-91-4 ]
[ 18218-20-7 ]
[ 6332-83-8 ]
[ 1889-71-0 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1983,vol. 56,p. 1420 - 1423

41
[ 87273-91-4 ]
[ 87273-95-8 ]
[ 6332-83-8 ]
[ 1889-71-0 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1983,vol. 56,p. 1420 - 1423

42
[ 70974-70-8 ]
[ 1889-71-0 ]

Reference： [1]Bulletin de la Societe Chimique de France,1979,vol. <II>,p. 362 - 365
[2]Bulletin de la Societe Chimique de France,1979,vol. <II>,p. 362 - 365

43
[ 69032-00-4 ]
[ 1889-71-0 ]

Reference： [1]Bulletin de la Societe Chimique de France,1979,vol. <II>,p. 362 - 365

44
[ 1889-71-0 ]
[ 31464-86-5 ]

Reference： [1]Tetrahedron,1970,vol. 26,p. 5557 - 5579

45
[ 1889-71-0 ]
[ 3493-18-3 ]

Reference： [1]Tetrahedron,1970,vol. 26,p. 5557 - 5579

46
2-benzyl-1,2-bis(p-chlorophenyl)-2-hydroxyethanone [ No CAS ]
[ 104-88-1 ]
[ 1889-71-0 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1996,vol. 44,p. 252 - 254

47
[ 187336-13-6 ]
[ 1889-71-0 ]

Reference： [1]Heterocycles,1997,vol. 45,p. 1 - 5

48
[ 623-03-0 ]
[ 1080-32-6 ]
[ 1889-71-0 ]

Reference： [1]Synthetic Communications,1997,vol. 27,p. 3333 - 3339

49
[ 187336-13-6 ]
[ 36082-71-0 ]
[ 16499-37-9 ]
[ 92437-11-1 ]
[ 1889-71-0 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1998,vol. 46,p. 199 - 206

50
α-benzyl-4,4'-dichlorobenzoin [ No CAS ]
[ 4254-20-0 ]
[ 1889-71-0 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1998,vol. 46,p. 6 - 11

51
[ 908094-04-2 ]
[ 104-88-1 ]
cis-2-(4-chlorobenzenyl)-3-phenyl-oxirane [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Tetrahedron,1998,vol. 54,p. 349 - 358

52
[ 108-86-1 ]
[ 1889-71-0 ]
1-(5'-chloro-[1,1';3',1'']terphenyl-2'-yl)-2,2-diphenyl-ethanone [ No CAS ]

Reference： [1]Tetrahedron Letters,1999,vol. 40,p. 5345 - 5348
[2]Tetrahedron,2001,vol. 57,p. 5967 - 5974

53
[ 583-53-9 ]
[ 1889-71-0 ]
[ 55082-61-6 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1999,vol. 72,p. 2345 - 2350

57
[ 110220-78-5 ]
[ 64-19-7 ]
sodium dichromate [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Journal of the American Chemical Society,1939,vol. 61,p. 1714

58
[ 104-88-1 ]
[ 27992-27-4 ]
1-(4-chloro-phenyl)-1,3-diphenyl-propan-2-one [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Tetrahedron Letters,2000,vol. 41,p. 10327 - 10331

59
[ 501-53-1 ]
[ 108-90-7 ]
[ 1889-71-0 ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 5967 - 5974

60
[ 1889-71-0 ]
1-Chloro-4-((Z)-1-chloro-2-phenyl-vinyl)-benzene [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 3105 - 3107

61
[ 1889-71-0 ]
1-((Z)-1-Bromo-2-phenyl-vinyl)-4-chloro-benzene [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 3105 - 3107

62
[ 105-36-2 ]
[ 1889-71-0 ]
[ 59086-23-6 ]

Reference： [1]Heterocycles,2002,vol. 57,p. 39 - 46

63
[ 105-56-6 ]
[ 1889-71-0 ]
(Z)-3-(4-Chloro-phenyl)-2-cyano-4-phenyl-but-2-enoic acid ethyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1870 - 1877

64
[ 31233-66-6 ]
[ 62086-76-4 ]
[ 62086-75-3 ]
(1S,2S)-1-(4'-chlorophenyl)-2-phenylethane-1,2-diol [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Tetrahedron Asymmetry,2003,vol. 14,p. 3755 - 3760

65
[ 1889-71-0 ]
[ 650601-10-8 ]

Reference： [1]Tetrahedron Asymmetry,2003,vol. 14,p. 3755 - 3760
[2]Journal of Molecular Catalysis B: Enzymatic,2011,vol. 70,p. 61 - 66

66
[ 1889-71-0 ]
4-(2-(4-chlorophenyl)-2-oxoethyl)benzenesulfonamide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 1881 - 1893
[2]European Journal of Medicinal Chemistry,2014,vol. 73,p. 233 - 242

67
[ 1889-71-0 ]
[ 39774-18-0 ]

Reference： [1]Chemistry - A European Journal,2004,vol. 10,p. 2159 - 2165

68
[ 4637-24-5 ]
[ 1889-71-0 ]
(E)-1-(4-Chloro-phenyl)-3-dimethylamino-2-phenyl-propenone [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 645 - 651

69
[ 563-41-7 ]
[ 1889-71-0 ]
[ 16236-51-4 ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2005,vol. 180,p. 1593 - 1600

70
[ 100-07-2 ]
[ 1889-71-0 ]
1-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-2-phenyl-propane-1,3-dione [ No CAS ]

Reference： [1]Organic Letters,2006,vol. 8,p. 2675 - 2678

71
[ 100-07-2 ]
[ 1889-71-0 ]
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-phenyl-1H-pyrazole [ No CAS ]

Reference： [1]Organic Letters,2006,vol. 8,p. 2675 - 2678

72
[ 108-98-5 ]
[ 1889-71-0 ]
[ 910302-30-6 ]
(Z)-1-(p-chlorophenyl)-2-phenyl-1-(phenylthio)ethylene [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2006,vol. 181,p. 763 - 770

73
[ 1679-18-1 ]
[ 140-29-4 ]
[ 1889-71-0 ]

Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 6765 - 6768

74
[ 123-75-1 ]
[ 1889-71-0 ]
(E)-1-[1-(4-chlorophenyl)-2-phenylvinyl]pyrrolidine [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 11774 - 11775

75
3-(4-chlorophenyl)-3-oxo-2-phenylpropanal [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 661 - 665

76
1-(4-chlorophenyl)-3-phenyl-2,3-ditosyloxypropanone [ No CAS ]
[ 1889-71-0 ]

Reference： [1]Synlett,2007,p. 2189 - 2192

77
[ 950583-50-3 ]
[ 1889-71-0 ]
C₃₂H₂₂ClNS [ No CAS ]
C₃₁H₂₁ClO₃ [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 8998 - 9002

78
[ 950583-52-5 ]
[ 1889-71-0 ]
C₃₃H₂₅ClO₅ [ No CAS ]
C₃₄H₂₆ClNO₂S [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 8998 - 9002

79
[ 956-02-5 ]
[ 1889-71-0 ]

Reference： [1]Synlett,2007,p. 2189 - 2192

80
[ 32157-73-6 ]
[ 1889-71-0 ]

Reference： [1]Synthetic Communications,2007,vol. 37,p. 661 - 665

81
[ 1889-71-0 ]
1-[1-(4-chlorophenyl)-2-phenylethyl]pyrrolidine [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 11774 - 11775

82
[ 1889-71-0 ]
1-[1-(4-chlorophenyl)-2-phenylethyl]pyrrolidine [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 11774 - 11775

83
[ 1889-71-0 ]
(Z)-1-(p-chlorophenyl)-2-phenyl-1-(phenylsulphonyl)ethylene [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2006,vol. 181,p. 763 - 770

84
[ 1889-71-0 ]
(E)-1-(p-chlorophenyl)-2-phenyl-1-(phenylsulphonyl)ethylene [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2006,vol. 181,p. 763 - 770

85
[ 1889-71-0 ]
[ 877224-42-5 ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2005,vol. 180,p. 1593 - 1600

86
[ 1889-71-0 ]
4-[4-(4-chloro-phenyl)-[1,2,3]thiadiazol-5-yl]-benzenesulfonyl chloride [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2005,vol. 180,p. 1593 - 1600

87
[ 1889-71-0 ]
4-[4-(4-chloro-phenyl)-[1,2,3]thiadiazol-5-yl]-benzenesulfonamide [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2005,vol. 180,p. 1593 - 1600

88
[ 1889-71-0 ]
[ 611217-76-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 645 - 651

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[ 1889-71-0 ]

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4'-Chloropropiophenone

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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. 1889-71-0 ] {[proInfo.proName]}

Quality Control of [ 1889-71-0 ]

Related Doc. of [ 1889-71-0 ]

Product Details of [ 1889-71-0 ]

Calculated chemistry of [ 1889-71-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1889-71-0 ]

Application In Synthesis of [ 1889-71-0 ]

[ 1889-71-0 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 1889-71-0 ]

Aryls

Chlorides

Ketones

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1889-71-0 ]