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CAS Number: 7499-06-1
5-chloro-2-methylbenzoic acid

Structure

5-chloro-2-methylbenzoic acid
Name: 5-chloro-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 7499061

CAS Registry Number 7499-06-1
Name:
Benzoic acid, 5-?chloro-?2-?methyl-
o-Toluic acid, 5-chloro- (6CI,8CI)
3-Chloro-6-methylbenzoic acid
5-Chloro-2-methylbenzoic acid
5-Chloro-o-toluic acid
NSC 407520

 

Chemical Formula: C8H7ClO2
Exact Mass: 170.01
Molecular Weight: 170.59
m/z: 170.01 (100.0%), 172.01 (32.0%), 171.02 (8.8%), 173.01 (2.8%)

 

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

InChI Key:CSAPESWNZDOAFU-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=C(C=C1)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 169.5-171.0 °C   (1)CAS
Melting Point 165.5-166.5 °C   (2)CAS

Specification

98%

References
  1. (1) Newman, Melvin S.; Journal of Organic Chemistry 1958, V23, P1236 CAPLUS
  2. (2) Beard, Wm. Q., Jr.; Journal of Organic Chemistry 1960, V25, P334-43 CAPLUS
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