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3-Chlorobenzoic acid

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3-Chlorobenzoic acid
Names
Preferred IUPAC name 3-Chlorobenzoic acid
Other names m-Chlorobenzoic acid
meta-Chlorobenzoic acid
3BZ
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 907218
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.007.837 Edit this at Wikidata
EC Number
  • 208-618-4
Gmelin Reference 3664
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)Key: LULAYUGMBFYYEX-UHFFFAOYSA-N
SMILES
  • C1=CC(=CC(=C1)Cl)C(=O)O
Properties
Chemical formula C7H5ClO2
Molar mass 156.57 g·mol
Appearance white solid
Density 1.517 g/cm
Melting point 154 °C (309 °F; 427 K)
Boiling point 275 °C (527 °F; 548 K)
Hazards
GHS labelling:
Pictograms GHS07: Exclamation mark
Signal word Warning
Hazard statements H315, H319, H335
Precautionary statements 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 , 100 kPa). Infobox references
Chemical compound

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.

Synthesis and occurrence

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

It is a metabolic byproduct of the drug bupropion.

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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