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634034

Sigma-Aldrich

4-Chloro-2-methylbenzoic acid

96%

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About This Item

Linear Formula:
ClC6H3(CH3)CO2H
CAS Number:
Molecular Weight:
170.59
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

96%

form

solid

mp

167-171 °C (lit.)

functional group

carboxylic acid
chloro

SMILES string

Cc1cc(Cl)ccc1C(O)=O

InChI

1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChI key

XXFKOBGFMUIWDH-UHFFFAOYSA-N

General description

4-Chloro-2-methylbenzoic acid can be synthesized from 4-chlorobenzoic acid via a multi-step reaction process.[1]

Application

4-Chloro-2-methylbenzoic acid can be used in the synthesis of:
  • 4-chloro-2-methylbenzophenone via Freidel Craft′s acylation with benzene[2]
  • 4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid[1]
  • 4-chloro-2-methyl-3-nitrobenzoic acid methyl ester[1]

pictograms

CorrosionExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

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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"(2-Methyl-5-(methylsulfonyl) benzoyl) guanidine Na+/H+ antiporter inhibitors"
Baumgarth M, et al.
Journal of Medicinal Chemistry, 40(13), 2017- 2034 (1997)
"A novel synthesis of 1-substituted 2H-isoquinolin-3-ones"
Canepa.SA and Bravo.DR
Journal of Heterocyclic Chemistry, 41(06), 979-982 (2004)

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