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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
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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
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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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