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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:
7499-07-2
Molecular Weight:
170.59
MDL number:
MFCD00045852
UNSPSC Code:
12352100
PubChem Substance ID:
24882595
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.

Application

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

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H318

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

634034-VAR:
634034-1G:
634034-5G:
634034-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
0000146001
08121JE
06630HE
05603CE

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

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