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3,4-Dichlorophenylacetic acid

3,4-Dichlorophenylacetic acid structure

CAS No:
5807-30-7
Formula:
C8H6Cl2O2
Chemical Name:
3,4-Dichlorophenylacetic acid
Synonyms:
Benzeneacetic acid,3,4-dichloro-;Acetic acid,(3,4-dichlorophenyl)-;3,4-Dichlorobenzeneacetic acid;3,4-Dichlorophenylacetic acid;NSC 132186;2-(3,4-Dichlorophenyl)acetic acid
Categories:
Pharmaceutical Intermediates > Analgesics

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Description

white to light yellow crystalline powder

3,4-Dichlorophenylacetic acid Basic Attributes

Molecular Weight：

205.034

Exact Mass：

205.04

EC Number：

227-368-7

UNII：

713NZ1A32D

NSC Number：

132186

DSSTox ID：

DTXSID70206794

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

3.1

Appearance：

similar to white crystal

Density：

1.5±0.1 g/cm3

Melting Point：

82-82.5 °C

Boiling Point：

328°C at 760 mmHg

Flash Point：

152.1±23.7 °C

Refractive Index：

1.585

Water Solubility：

Insoluble in water.

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S37/39-S26

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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

Computed Properties

Molecular Weight:205.03
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:203.9744848
Monoisotopic Mass:203.9744848
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dichlorophenylacetic acid

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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3,4-Dichlorophenylacetic acid

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