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3-Chloromandelic acid

3-Chloromandelic acid structure

CAS No:
16273-37-3
Formula:
C8H7ClO3
Chemical Name:
3-Chloromandelic acid
Synonyms:
Benzeneacetic acid,3-chloro-α-hydroxy-;Mandelic acid,m-chloro-;3-Chloro-α-hydroxybenzeneacetic acid;3-Chloromandelic acid;m-Chloromandelic acid;(±)-m-Chloromandelic acid;NSC 126599;2-(3-Chlorophenyl)-2-(hydroxy)acetic acid;(3-Chlorophenyl)hydroxyacetic acid;3-Chlorophenyl-2-hydroxyacetic acid;52950-16-0
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Chloromandelic acid Basic Attributes

Molecular Weight：

186.59

Exact Mass：

186.59

EC Number：

240-376-5

NSC Number：

126599

HScode：

2918199090

Characteristics

PSA：

57.5

XLogP3：

1.5

Appearance：

white crystalline powder

Density：

1.468 g/cm3

Melting Point：

115-115.5 °C

Boiling Point：

348.2°C at 760 mmHg

Flash Point：

164.4ºC

Vapor Pressure：

1.92E-05mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-chloromandelic 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
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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