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3-Chlorobenzoic acid

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3-Chlorobenzoic acid Basic information

Product Name:
3-Chlorobenzoic acid
Synonyms:
  • 3-Chlorbenzoesαure
  • 3-chlorobenzoic
  • 3-chloro-benzoicaci
  • Acido m-clorobenzoico
  • acidom-clorobenzoico
  • Benzoic acid, m-chloro-
  • Benzoicacid,3-chloro-
  • 3-CHLOROBENZOIC ACID FOR SYNTHESIS
CAS:
535-80-8
MF:
C7H5ClO2
MW:
156.57
EINECS:
208-618-4
Product Categories:
  • Building Blocks
  • Carbonyl Compounds
  • Carboxylic Acids
  • Chemical Synthesis
  • Organic Building Blocks
  • carboxylic acid| alkyl chloride
  • FINE Chemical & INTERMEDIATES
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Organics
  • Nitrile
  • Organic acids
  • C7
  • Aromatics
  • Intermediates
  • Carbonyl Compounds
  • Carboxylic Acids
Mol File:
535-80-8.mol
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3-Chlorobenzoic acid Chemical 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
form 
Crystalline Powder
pka
3.82(at 25℃)
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)
NIST Chemistry Reference
Benzoic acid, 3-chloro-(535-80-8)
EPA Substance Registry System
m-Chlorobenzoic acid (535-80-8)
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Safety Information

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
Hazardous Substances Data
535-80-8(Hazardous Substances Data)

MSDS

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3-Chlorobenzoic acid Usage And Synthesis

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.]

3-Chlorobenzoic acidSupplier

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