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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.)
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
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Find documentation for the products that you have recently purchased in the Document Library.
"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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Baumgarth M, et al.
Journal of Medicinal Chemistry, 40(13), 2017- 2034 (1997)
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