3-Chlorobenzoic acid

3-Chlorobenzoic acid is an organic compound with the molecular formula ClC6H4CO2H. It is a white solid that is soluble in some organic solvents and in aqueous base.[1]

3-Chlorobenzoic acid
Names
Preferred IUPAC name
3-Chlorobenzoic acid
Other names
m-Chlorobenzoic acid
meta-Chlorobenzoic acid
3BZ
Identifiers
3D model (JSmol)
907218
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.007.837
EC Number
  • 208-618-4
3664
UNII
  • InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) checkY
    Key: LULAYUGMBFYYEX-UHFFFAOYSA-N checkY
  • C1=CC(=CC(=C1)Cl)C(=O)O
Properties
C7H5ClO2
Molar mass 156.57 g·mol−1
Appearance white solid
Density 1.517 g/cm3
Melting point 154 °C (309 °F; 427 K)
Boiling point 275 °C (527 °F; 548 K)
Hazards
GHS labelling:
GHS07: Exclamation mark
Warning
H315, H319, H335
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
Flash point 150 °C (302 °F; 423 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Synthesis and occurrence

3-Chlorobenzoic acid is prepared by oxidation of 3-chlorotoluene.

It is a metabolic byproduct of the drug bupropion.[2]

References
  1. Takao Maki; Kazuo Takeda (2002). "Benzoic Acid and Derivatives". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a03_555. ISBN 3527306730..
  2. National Center for Biotechnology Information. "3-chlorobenzoic acid". PubChem. Retrieved 27 October 2018.
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