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CAS Number: 42860-10-6
3-bromo-4-chlorobenzoic acid

Structure

3-bromo-4-chlorobenzoic acid
Name: 3-bromo-4-chlorobenzoic acid
Synonyms:
General Information
Product Number: 42860106
CAS Registry Number: 42860-10-6
Name:
        Benzoic acid, 3-​bromo-​4-​chloro-
        3-​Bromo-​4-​chlorobenzoic acid 
 
Chemical Formula: C7H4BrClO2
Exact Mass: 233.91
Molecular Weight: 235.46
m/z: 235.91 (100.0%), 233.91 (77.1%), 237.90 (24.0%), 236.91 (7.7%), 234.91 (5.9%), 238.91 (1.9%)
Elemental Analysis: C, 35.71; H, 1.71; Br, 33.93; Cl, 15.06; O, 13.59
 
InChI: InChI=1S/C7H4BrClO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey: NLEPZGNUPNMRGF-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(=O)O)Br)Cl
 
Thermal Properties Value Condition Note
Melting Point 214 °C   (1)IC
Melting Point 213 °C   (2)CAS
Melting Point 212-215 °C   (3)CAS

Specification

98%

References

  • (1) Banerjee, Amalendu; Journal of the Indian Chemical Society 1980, V57(6), P640-2 CAPLUS
  • (2) Varma, Phuldeo Sahay; Journal of the Indian Chemical Society 1937, V14, P157-9 CAPLUS
  • (3) FR 835727 1938 CAPLUS
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