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4-Chlorosalicylic acid

4-Chlorosalicylic acid structure

CAS No:
5106-98-9
Formula:
C7H5ClO3
Chemical Name:
4-Chlorosalicylic acid
Synonyms:
Benzoic acid,4-chloro-2-hydroxy-;Salicylic acid,4-chloro-;4-Chloro-2-hydroxybenzoic acid;4-Chlorosalicylic acid;2-Hydroxy-4-chlorobenzoic acid;p-Chlorosalicylic acid;NSC 15816
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

4-Chlorosalicylic acid is a pharmaceutical intermediate. Inhibits monophenolase and diphenolase activity with IC50s of 1.89 mM and 1.10 mM. Potent antimicrobial activity. Against E. coli with the MIC of 250 μg/mL and with the MBC of 500 μg/mL.

4-Chlorosalicylic acid Basic Attributes

Molecular Weight：

172.57

Exact Mass：

172.57

EC Number：

225-829-7

UNII：

7I5GI51211

NSC Number：

15816

DSSTox ID：

DTXSID00199064

HScode：

2918290000

Characteristics

PSA：

57.5

XLogP3：

3.1

Appearance：

off-white to light beige powder

Density：

1.5±0.1 g/cm3

Melting Point：

211 °C

Boiling Point：

321.1°C at 760 mmHg

Flash Point：

148.0±23.7 °C

Refractive Index：

1.630

Water Solubility：

slightly soluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

S26-S37/39

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (12.77%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-chlorosalicylate

4-Chlorosalicylic acid Use and Manufacturing

4-Chlorosalicylic Acid is a metabolite of the herbicide Benthiocarb. 4-Chlorosalicylic Acid shows antifungal activity.

Computed Properties

Molecular Weight:172.56
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.9927217
Monoisotopic Mass:171.9927217
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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