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4-Chloromandelic acid

4-Chloromandelic acid structure

CAS No:
492-86-4
Formula:
C8H7ClO3
Chemical Name:
4-Chloromandelic acid
Synonyms:
Benzeneacetic acid,4-chloro-α-hydroxy-;Mandelic acid,p-chloro-;4-Chloro-α-hydroxybenzeneacetic acid;p-Chloromandelic acid;4-Chloromandelic acid;(p-Chlorophenyl)hydroxyacetic acid;2-Hydroxy-2-(4-chlorophenyl)acetic acid;4-Chloro-DL-mandelic acid;DL-p-Chloromandelic acid;(±)-p-Chloromandelic acid;(±)-4-Chloromandelic acid;NSC 31400;NSC 8112;2-(4-Chlorophenyl)-2-hydroxyacetic acid;(4-Chlorophenyl)hydroxyacetic acid;DL-4-Chloromandelic acid;7138-34-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white crystalline powder

4-Chloromandelic acid Basic Attributes

Molecular Weight：

186.59

Exact Mass：

186.59

EC Number：

207-764-6

NSC Number：

31400|8112

HScode：

2918199090

Characteristics

PSA：

57.5

XLogP3：

1.2

Appearance：

white crystalline powder

Density：

1.5±0.1 g/cm3

Melting Point：

119-120 °C

Boiling Point：

361.4°C at 760 mmHg

Flash Point：

172.4±23.7 °C

Refractive Index：

1.606

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

7.43E-06mmHg at 25°C

Collision Cross Section：

135.63 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Chloromandelic acid Use and Manufacturing

Manufacturing Info：

Benzeneacetic acid, 4-chloro-.alpha.-hydroxy-: ACTIVE

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

NOA 459119 is a known environmental transformation product of Mandipropamid.

Computed Properties

Molecular Weight:186.59
XLogP3:1.2
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:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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