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190632

Sigma-Aldrich

2-Chlorophenylacetic acid

99%

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Linear Formula:
ClC6H4CH2CO2H
CAS Number:
Molecular Weight:
170.59
Beilstein:
1101523
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99%

form

solid

mp

92-95 °C (lit.)

SMILES string

OC(=O)Cc1ccccc1Cl

InChI

1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChI key

IUJAAIZKRJJZGQ-UHFFFAOYSA-N

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General description

Acidity constant (pKa) of 2-chlorophenylacetic acid in water has been evaluated.

Application

2-Chlorophenylacetic acid has been used in the synthesis of phenylacetoxy cellulosics and its halogenated derivatives.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Prediction of acidity constant for substituted acetic acids in water using artificial neural networks.
Habibi-Yangjeh A and Danandeh-Jenagharad M.
Indian J. Chem. B, 46(3), 478-478 (2007)
Qizhou Dai et al.
Biomacromolecules, 5(1), 74-80 (2004-01-13)
A series of phenylacetoxy cellulosics with degrees of substitution (DS) between 1.4 and 3.0 and different halogenation (2-chloro, 3-chloro, 4-chloro, 2,4-dichloro, 3,4-dichloro, and 4-bromo) were synthesized. All the prepared phenylacetoxy cellulosics were soluble in dimethylformamide (DMF) and DMAc. The solubility

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