5-Bromo-2-(1,1-dimethylethyl)benzoic acid

CAS Registry Number®

14034-92-5
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CAS Name

5-Bromo-2-(1,1-dimethylethyl)benzoic acid

Molecular Formula

C11H13BrO2

Molecular Mass

257.12

Cite this Page

5-Bromo-2-(1,1-dimethylethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14034-92-5 (retrieved 2024-09-07) (CAS RN: 14034-92-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123.0-124.5 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YBVGZINVOSVUEP-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C(C)(C)C)C=CC(Br)=C1

Canonical SMILES

O=C(O)C1=CC(Br)=CC=C1C(C)(C)C

Other Names for this Substance

  • Benzoic acid, 5-bromo-2-(1,1-dimethylethyl)-
  • Benzoic acid, 5-bromo-2-tert-butyl-
  • 5-Bromo-2-(1,1-dimethylethyl)benzoic acid