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532819

Sigma-Aldrich

4-Bromo-3-methylbenzoic acid

97%

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About This Item

Linear Formula:
BrC6H3(CH3)CO2H
CAS Number:
7697-28-1
Molecular Weight:
215.04
EC Number:
231-713-7
MDL number:
MFCD00039526
UNSPSC Code:
12352100
PubChem Substance ID:
24877917

assay

97%

mp

212-216 °C (lit.)

SMILES string

Cc1cc(ccc1Br)C(O)=O

InChI

1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)

InChI key

KWVXDZLVCISXIB-UHFFFAOYSA-N

General description

4-Bromo-3-methylbenzoic acid can be prepared by the hydrolysis of 4-bromo-3-methylbenzonitrile.[1]

Application

4-Bromo-3-methylbenzoic acid may be used in the preparation of following organic compounds:
  • 4-bromo-3-methylbenzoyl chloride[2]
  • 4-bromo-3-methylbenzoic acid tert-butyl ester[3]
  • 4-bromo-N-methoxy-3,N-dimethylbenzamide[4]
  • 2-(4-bromo-3-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole[4]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBN4622V
1430260V
1430260
12420CE
U18292

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Benzimidazole derivatives bearing substituted biphenyls as hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors: structure-activity relationship studies and identification of a potent and highly selective inhibitor JTK-109.
Hirashima S, et al.
Journal of Medicinal Chemistry, 49(15), 4721-4736 (2006)
Polycyclic systems. Part 19. Synthesis of 8-isobutyl-10-methyl-11 H-indeno [2, 1-a] phenanthrene (second diels hydrocarbon), a minor dehydrogenation product of cholesterol.
Nasipuri D, et al.
Journal of the Chemical Society. Perkin Transactions 1, 3034-3036 (1979)
Synthesis of polysaccharide derivatives bearing bromobenzoate pendants for use as chiral auxiliaries.
Ikai T, et al.
Reactive functional Polymers, 82, 52-57 (2014)
End group-functionalization and synthesis of block-copolythiophenes by modified nickel initiators.
Smeets A, et al.
Macromolecules, 44(15), 6017-6025 (2011)

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