ChemicalBook--->CAS DataBase List--->5398-79-8

5398-79-8

5398-79-8 Structure

5398-79-8 Structure
IdentificationBack Directory
[Name]

Benzeneacetic acid, 2,5-dichloro-
[CAS]

5398-79-8
[Synonyms]

NSC 3045
2,5-Dichlorobenzeneacetic acid
Benzeneacetic acid, 2,5-dichloro-
2-(2,5-Dichlorophenyl)ethanoic acid
JR-14007, 2-(2,5-Dichlorophenyl)acetic acid, 95%
[Molecular Formula]

C8H6Cl2O2
[MDL Number]

MFCD02664807
[MOL File]

5398-79-8.mol
[Molecular Weight]

205.04
Chemical PropertiesBack Directory
[Melting point ]

105-107℃
[Boiling point ]

322.5±27.0 °C(Predicted)
[density ]

1.456
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.87±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H302-H319
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Spectrum DetailBack Directory
[Spectrum Detail]

Benzeneacetic acid, 2,5-dichloro-(5398-79-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

2,5-Dichlorobenzyl cyanide

3218-50-6

Benzeneacetic acid, 2,5-dichloro-

5398-79-8

The general procedure for the synthesis of 2,5-dichlorophenylacetic acid from 2,5-dichlorophenylacetonitrile was as follows: concentrated sulfuric acid (8 mL) was added dropwise to a stirring solution of 2-(2,5-dichlorophenyl)acetonitrile (700 mg, 3.76 mmol, 1.00 equiv.) in water (6 mL). The reaction mixture was stirred in an oil bath at 110 °C for 3 hours. Upon completion of the reaction, the reaction solution was diluted with distilled water (100 mL) and subsequently extracted with dichloromethane (3 x 50 mL). The organic layers were combined, washed with saturated saline (3 x 100 mL) and dried with anhydrous sodium sulfate. Finally, the solvent was removed by concentration under reduced pressure to give 700 mg (91% yield) of 2,5-dichlorophenylacetic acid as a white solid.

[References]

[1] Patent: WO2013/96771, 2013, A1. Location in patent: Page/Page column 165
[2] Phytochemistry (Elsevier), 1988, vol. 27, # l, p. 51 - 72
[3] Patent: WO2008/91594, 2008, A2. Location in patent: Page/Page column 73
[4] Patent: WO2007/14290, 2007, A2. Location in patent: Page/Page column 56
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