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CAS Number: 38473-89-1
3-bromo-4-(tert-butyl)benzoic acid

Structure

 3-bromo-4-(tert-butyl)benzoic acid
Name: 3-bromo-4-(tert-butyl)benzoic acid
Synonyms:
General Information
Product Number: 38473891

CAS Registry Number 38473-89-1
Name:
Benzoic acid, 3-?bromo-?4-?(1,?1-?dimethylethyl)?-
Benzoic acid, 3-bromo-4-tert-butyl- (6CI)
3-Bromo-4-tert-butylbenzoic acid
SC 137162

 

Chemical Formula: C11H13BrO2
Exact Mass: 256.01
Molecular Weight: 257.12
m/z: 256.01 (100.0%), 258.01 (97.7%), 257.01 (12.0%), 259.01 (11.8%), 260.01 (1.0%)

 

InChI:InChI=1S/C11H13BrO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)

InChI Key:SHBYNNKZVBDWRW-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=C(C=C(C=C1)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 177-178 °C Solv: acetone (67-64-1) (3)CAS
Melting Point 176.5 °C   (4)CAS
Melting Point 176 °C Solv: acetic acid (64-19-7) (1)IC

Specification

98%
References
  1. (1) Hambley, Trevor W.; Australian Journal of Chemistry 1990, V43(5), P807-14 CAPLUS
  2. (3) Baas, J. M. A.; Recueil des Travaux Chimiques des Pays-Bas 1966, V85(5), P457-66 CAPLUS
  3. (4) Chapman, N. B.; Journal of the Chemical Society 1962, P1824-32 CAPLUS
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