ChemicalBook--->CAS DataBase List--->4996-21-8

4996-21-8

4996-21-8 Structure

4996-21-8 Structure
IdentificationBack Directory
[Name]

4-Chlorophenylglyoxal hydrate
[CAS]

4996-21-8
[Synonyms]

Zinc01703019
4-CHLOROPHENYLGLYOXAL HYDRATE
4-Chlorophenylglyoxal hydrate 95%
4-CHLOROPHENYLGLYOXAL HYDRATE, 95+%
Ethanone, 1-(4-chlorophenyl)-2,2-dihydroxy-
[Molecular Formula]

C8H7ClO3
[MDL Number]

MFCD08272327
[MOL File]

4996-21-8.mol
[Molecular Weight]

186.59
Chemical PropertiesBack Directory
[Boiling point ]

319.0±27.0 °C(Predicted)
[density ]

1.454±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[pka]

10.42±0.41(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P304+P340-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[Hazard Note ]

Irritant
[HS Code ]

2914790090
Hazard InformationBack Directory
[Synthesis]

4-Chloro-2'-bromoacetophenone

536-38-9

4-Chlorophenylglyoxal hydrate

4996-21-8

The general procedure for the synthesis of 4-chlorophenyl acetaldehyde hydrate from α-bromo-4-chloroacetophenone was as follows: 4'-chloro-2-bromoacetophenone (25.0 g, 107 mmol), water (1.92 mL, 107 mmol), and 47% hydrobromic acid (0.20 mL) were dissolved in dimethylsulfoxide (160 mL), and the reaction was stirred for 5 hr at 80 °C. Upon completion of the reaction, the reaction mixture was poured into water and the precipitate precipitated was filtered, washed with diethyl ether and dried to give 4-chloro-2,2-dihydroxyacetylbenzene (14.0 g, yield not indicated). The product was characterized by 1H NMR (300 MHz, CDCl3) with chemical shifts of δ 5.92 (1H, s), 7.45-7.52 (2H, m), 8.05-8.20 (2H, m).

[References]

[1] Patent: WO2004/85408, 2004, A1. Location in patent: Page 276
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