3-Chlorobenzoic acid

Description

3-Chlorobenzoic acid · CAS 535-80-8 · C7H5ClO2. UNII 02UOJ7064K. Melting Point: 316 °F (NTP, 1992); Melting Point: 158 °C; Solubility: 450 mg/l at 15 °C in water..

Identification

CAS Registry Number	535-80-8
PubChem CID	447
Molecular formula	C7H5ClO2
IUPAC name	3-chlorobenzoic acid
UNII (FDA)	02UOJ7064K

Computed Descriptors

Molecular Weight	156.56
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	155.9978071
Monoisotopic Mass	155.9978071
Topological Polar Surface Area	37.3
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Melting Point	316 °F (NTP, 1992)
Melting Point	158 °C
Solubility	450 mg/l at 15 °C in water.
Solubility	0.45 mg/mL
Density	1.496 AT 25 °C/4 °C
Vapor Pressure	0.00233 [mmHg]
LogP	2.68
LogP	2.51
Ionization Efficiency	0.48
Ionization Efficiency	10.5

Physical description & handling notes

• Crystals or fluffy white powder. (NTP, 1992)
• Solid; [Merck Index] White powder; [MSDSonline]
• Solid
• CRYSTALS
• PRISMS FROM WATER
• Sublimes (NTP, 1992)

Regulatory Status

GHS notification summary	4.3% (3 / 70)

GHS Hazard Classification

GHS notification summary	4.3% (3 / 70)
Reported hazard statements	H315 (95.7%), H319 (95.7%), H335 (90%)

Documented Uses

• Used as a chemical intermediate (dyes, fungicides, and pharmaceuticals) and as a preservative for adhesives and paints; Not commercially produced in the US; [HSDB]
• Painting (Pigments, Binders, and Biocides) [Category: Paint]
• Working with Glues and Adhesives [Category: Other]
• CHEM INT, EG, FOR ITS ESTER & PEROXY DERIVS
• Intermediate for the preparation of dyes, fungicides, pharmaceuticals, and other chemicals; preserative for adhesives and paints. /Chlorobenzoic acid/
• ... BY CATALYTIC OXIDN OF 1-CHLORO-3-ETHYLBENZENE; BY CHLORINATION OF BENZOIC ACID; BY THE VON RICHTER REACTION FROM 1-CHLORO-4-NITROBENZENE & ALCOHOLIC POTASSIUM CYANIDE.

Synonyms

3-chlorobenzoic acid; 535-80-8; m-chlorobenzoic acid; Benzoic acid, 3-chloro-; Benzoic acid, m-chloro-; Acido m-clorobenzoico; DTXSID9024770; 02UOJ7064K; NSC-8443; DTXCID904770; CHEBI:49410; RefChem:93507; 208-618-4; 800-980-7; 3-chloro-benzoic acid; MFCD00002491

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Chlorobenzoic acid?

CAS 535-80-8; molecular formula C7H5ClO2; molecular weight — g/mol.

What other names is 3-Chlorobenzoic acid known by?

3-chlorobenzoic acid, 535-80-8, m-chlorobenzoic acid, Benzoic acid, 3-chloro-, Benzoic acid, m-chloro-, Acido m-clorobenzoico.

Is 3-Chlorobenzoic acid classified as hazardous?

4.3% of GHS notifications report no hazard classification (3 of 70).

What are the key physical properties of 3-Chlorobenzoic acid?

Melting Point: 316 °F (NTP, 1992); Melting Point: 158 °C; Solubility: 450 mg/l at 15 °C in water.; Solubility: 0.45 mg/mL.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.