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2,3-Dichlorobenzoic acid

2,3-Dichlorobenzoic acid structure

CAS No:
50-45-3
Formula:
C7H4Cl2O2
Chemical Name:
2,3-Dichlorobenzoic acid
Synonyms:
Benzoic acid,2,3-dichloro-;2,3-Dichlorobenzoic acid
Categories:
Pharmaceutical Intermediates > Blood Products

Description

white to light yellow crystal powder

2,3-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 3 are substituted by chloro groups. It has a role as an impurity and a bacterial xenobiotic metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It derives from a benzoic acid. It is a conjugate acid of a 2,3-dichlorobenzoate.

2,3-Dichlorobenzoic acid Basic Attributes

Molecular Weight：

191.007

Exact Mass：

191.01

EC Number：

200-039-5

UNII：

CGP39QV5WF

DSSTox ID：

DTXSID5024976

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.7

Appearance：

white or kind of white powder or needle form crystallization

Density：

1.5±0.1 g/cm3

Melting Point：

168-170 °C(lit.)

Boiling Point：

306.9°C at 760 mmHg

Flash Point：

139.4±22.3 °C

Refractive Index：

1.599

Water Solubility：

H2O: slightly soluble

Vapor Pressure：

2.28e-04 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39-S36-S24/25

RTECS Number：

DG6475000

Marks：

Xi:Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (66.9%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 145 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3-Dichlorobenzoic acid Use and Manufacturing

Uses

2,3-Dichlorobenzoic acid is the key intermediate for antiepileptic drug Lamotrigine (L173250) and other pharmaceuticals for the treatment of central nervous system (CNS) disorders and disease.

Manufacturing Info：

Benzoic acid, 2,3-dichloro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:191.01
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.9588348
Monoisotopic Mass:189.9588348
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

1,2-Dichlorobenzene

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