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560170

Sigma-Aldrich

2-Bromo-4-methylbenzoic acid

97%

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About This Item

Linear Formula:
Br(CH3)C6H3COOH
CAS Number:
7697-27-0
Molecular Weight:
215.04
MDL number:
MFCD00045797
UNSPSC Code:
12352100
PubChem Substance ID:
24879850
NACRES:
NA.22

Assay

97%

form

solid

mp

143-147 °C (lit.)

SMILES string

Cc1ccc(C(O)=O)c(Br)c1

InChI

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

InChI key

ZZYYOHPHSYCHQG-UHFFFAOYSA-N

General description

2-Bromo-4-methylbenzoic acid can be prepared from 2-bromo-4-methylbenzonitrile via hydrolysis.[1]

Application

2-Bromo-4-methylbenzoic acid may be used to synthesize:
  • 4′-hydroxy-5:6′-dimethyldibenzo-α-pyrone[2]
  • 2-bromo-4-methylbenzophenone[1]
  • 7-hydroxy-5′-methyl-6-n-hexyl-3:4-benzocoumarin[3]
  • 2-(trimethylsilyl)ethyl 2-bromo-4-methylbenzoate[4]

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT5686
MKCK2784
MKBR8118V
MKBR6422V
MKBN0132V

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A Radioiodinated MIBG-octreotate conjugate exhibiting enhanced uptake and retention in sstr2-expressing tumor cells.
Vaidyanathan G, et al.
Bioconjugate Chemistry, 18(6), 2122-2130 (2007)
Intramolecular Reactions. IV. Chain Transfer Reaction Involving an Aromatic Hydrogen Atom and Related Reactions of 2-(4'-Methylbenzoyl)-benzenediazonium Salts1.
DeTar DF and Relyea DI.
Journal of the American Chemical Society, 78(17), 4302-4305 (1955)
Studies in the biochemistry of micro-organisms. 90. Alternariol and alternariol monomethyl ether, metabolic products of Alternaria tenuis.
Raistrick H, et al.
The Biochemical Journal, 55(3), 421-421 (1953)
204. Tetrahydrodibenzopyran derivatives isomeric with tetrahydrocannabinols.
Avison AWD, et al.
Journal of the Chemical Society, 952-955 (1949)

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