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CAS Number: 67973-32-4
3,5-dibromo-4-methylbenzoic acid

Structure

 3,5-dibromo-4-methylbenzoic acid
Name: 3,5-dibromo-4-methylbenzoic acid
Synonyms:
General Information
Product Number: 67973324

CAS Registry Number 67973-32-4
Name:
Benzoic acid, 3,?5-?dibromo-?4-?methyl-
p-Toluic acid, 3,5-dibromo- (6CI)
3,5-Dibromo-4-methylbenzoic acid

 

Chemical Formula: C8H6Br2O2
Exact Mass: 291.87
Molecular Weight: 293.94
m/z: 293.87 (100.0%), 291.87 (51.4%), 295.87 (48.6%), 294.87 (8.7%), 292.88 (4.5%), 296.87 (4.2%)

 

InChI:InChI=1S/C8H6Br2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)

InChI Key:SJCBUASMFSRONS-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=C(C=C1Br)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 239.5-240.5 °C   (1)CAS

Specification

98%
References
  1. (1) Pearson, D. E.; Journal of Organic Chemistry 1958, V23, P1412-19 CAPLUS
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