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Home > Encyclopedia > 3-Chloro-4-hydroxyphenylacetic acid

3-Chloro-4-hydroxyphenylacetic acid

3-Chloro-4-hydroxyphenylacetic acid structure

3-Chloro-4-hydroxyphenylacetic acid 

structure
  • CAS No:

    33697-81-3

  • Formula:

    C8H7ClO3

  • Chemical Name:

    3-Chloro-4-hydroxyphenylacetic acid

  • Synonyms:

    Benzeneacetic acid,3-chloro-4-hydroxy-;Acetic acid,(3-chloro-4-hydroxyphenyl)-;3-Chloro-4-hydroxybenzeneacetic acid;3-Chloro-4-hydroxyphenylacetic acid;4-Hydroxy-3-chlorophenylacetic acid;2-(3-Chloro-4-hydroxyphenyl)acetic acid

Description

Orange to tan powder


(3-chloro-4-hydroxyphenyl)acetic acid is a hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine. It has a role as a mammalian metabolite. It is a hydroxy monocarboxylic acid, a member of phenols and a member of monochlorobenzenes. It derives from an acetic acid.

3-Chloro-4-hydroxyphenylacetic acid Basic Attributes

186.59

186.59

251-643-0

DTXSID60187381

2918290000

Characteristics

57.5

1.33

1.5±0.1 g/cm3

107 °C

140-160 °C @ Press: 0.05 Torr

164.6±23.7 °C

1.610

Safety Information

NONH for all modes of transport

2

36/37/38

26-37/39-36

CY1576300

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

3-chloro-4-hydroxyphenylacetic acid

Computed Properties

Molecular Weight:186.59
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:186.0083718
Monoisotopic Mass:186.0083718
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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