ChemicalBook >> CAS DataBase List >>3-Chlorobenzoic acid

3-Chlorobenzoic acid

CAS No.
535-80-8
Chemical Name:
3-Chlorobenzoic acid
Synonyms
MCBA;M-CHLOROBENZOIC ACID;3-chlorobenzoic;3-Chlorbenzoesαure;3-Chlorobenzoi;m-Chlorobenzoic;3-CHLOROBENZOATE;AKOS BBS-00003733;m-Chlorbenzoesαure;m-Chlorbenzoesαure
CBNumber:
CB7203275
Molecular Formula:
C7H5ClO2
Molecular Weight:
156.57
MDL Number:
MFCD00002491
MOL File:
535-80-8.mol
MSDS File:
SDS
Last updated:2023-10-29 19:16:33

3-Chlorobenzoic acid Properties

Melting point 153-157 °C (lit.)
Boiling point 274-276°C
Density 1.496
refractive index 1.5812 (estimate)
Flash point 150 °C
storage temp. Store below +30°C.
solubility 0.45g/l
pka 3.82(at 25℃)
form Crystalline Powder
color White to beige
Water Solubility <0.1 g/100 mL at 19.5 ºC
Merck 14,2123
BRN 907218
Stability Skin, eye and respiratory irritant.
CAS DataBase Reference 535-80-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 02UOJ7064K
NIST Chemistry Reference Benzoic acid, 3-chloro-(535-80-8)
EPA Substance Registry System m-Chlorobenzoic acid (535-80-8)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
RTECS  DG4975990
Autoignition Temperature >500 °C
TSCA  Yes
HS Code  29163900
NFPA 704
1
2 0

3-Chlorobenzoic acid price More Price(42)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich C24604 3-Chlorobenzoic acid ReagentPlus , ≥99% 535-80-8 25g $41.6 2024-03-01 Buy
Sigma-Aldrich NIST2144 m-Chlorobenzoic acid NIST? SRM? 2144 535-80-8 2g $731 2024-03-01 Buy
Sigma-Aldrich 1112299 3-Chlorobenzoic acid United States Pharmacopeia (USP) Reference Standard 535-80-8 25mg $1380 2024-03-01 Buy
TCI Chemical C0132 3-Chlorobenzoic Acid >99.0%(GC)(T) 535-80-8 25g $30 2024-03-01 Buy
TCI Chemical C0132 3-Chlorobenzoic Acid >99.0%(GC)(T) 535-80-8 500g $300 2024-03-01 Buy
Product number Packaging Price Buy
C24604 25g $41.6 Buy
NIST2144 2g $731 Buy
1112299 25mg $1380 Buy
C0132 25g $30 Buy
C0132 500g $300 Buy

3-Chlorobenzoic acid Chemical Properties,Uses,Production

Chemical Properties

white to light yellow crystal powder

Uses

A Pseudomonas species which utilized 3-chlorobenzoic acid as a carbon source converted this compound to 3-hydroxybenzoic and 2, 5-dihydroxybenzoic acids. A methanogenic consortium able to use 3-chlorobenzoic acid as its sole energy and carbon source was enriched from anaerobic sewage sludge. A Pseudomonas putida strain 87 capable of assimilating 3-chlorobenzoic acid as a sole source of carbon and energy (3Cba+) was isolated. coupling of 3-chlorobenzoic acid with phenylboronic acid proceeds at room temperature using 0.5 % Pd and at 100°C using 0.1 % Pd to provide the coupled product in 97 % yeild.

Uses

3-Chlorobenzoic acid is a fundamental chemical building block commonly used in organic synthesis of more complex structures. A benzoic acid analogue that showed antifungal activity against strains of Aspergillus flavus, Aspergillus fumigatus and Aspergillus terreus, causative agents of human aspergillosis, in in vitro bioassays.

Definition

ChEBI: 3-chlorobenzoic acid is a monochlorobenzoic acid carrying a chloro substituent at position 3. It has a role as a drug metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 3-chlorobenzoate.

Synthesis Reference(s)

Journal of the American Chemical Society, 76, p. 5755, 1954 DOI: 10.1021/ja01651a039
Tetrahedron Letters, 25, p. 783, 1984

General Description

Crystals or fluffy white powder.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

3-Chlorobenzoic acid is incompatible with strong oxidizing agents. The reactivity of the chlorine atom of 3- chlorobenzoic acid is sluggish compared with the other isomers. Decarboxylation at higher temperatures is insignificant, and it resists oxidation. 3-Chlorobenzoic acid is made by the oxidation of 3-chlorotoluene or by the hydrolysis of 3-chlorobenzoyl chloride, which is derived from benzoyl chloride. 3-Chlorobenzoic acid is used for making diphenyl ether type herbicides.

Fire Hazard

Flash point data for 3-Chlorobenzoic acid are not available; however, 3-Chlorobenzoic acid is probably combustible.

Purification Methods

Crystallise the acid successively from glacial acetic acid, aqueous EtOH and pet ether (b 60-80o). It also recrystallises from *C6H6 or Et2O/hexane, and sublimes at 55o in a vacuum. [Anal Chem 26 726 1954] The methyl ester has m 21o, b 231o/760mm. The S-benzylisothiouronium salt has m 164-165o (from EtOH) [Friediger & Pedersen Acta Chem Scand 9 1425 1955, Samuel J Chem Soc 1318 1960]. [Beilstein 9 IV 969.]

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View Lastest Price from 3-Chlorobenzoic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-Chlorobenzoic acid pictures 2024-03-19 3-Chlorobenzoic acid
535-80-8
US $20.00 / KG 1KG 98% 200tons/ year Speranza Chemical Co., Ltd.
3-Chlorobenzoic acid pictures 2023-08-31 3-Chlorobenzoic acid
535-80-8
US $100.00 / bag 1bag 99 5000 Hebei Fengqiang Trading Co., LTD
3-Chlorobenzoic Acid pictures 2023-03-06 3-Chlorobenzoic Acid
535-80-8
US $10.00 / Kg/Drum 1KG 98% 10 ton Hebei Guanlang Biotechnology Co,.LTD
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