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CAS Number: 7499-08-3
3-chloro-2-methylbenzoic acid

Structure

3-chloro-2-methylbenzoic acid
Name: 3-chloro-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 7499083

CAS Registry Number 7499-08-3
Name:
Benzoic acid, 3-​chloro-​2-​methyl-
o-Toluic acid, 3-chloro- (6CI,8CI)
2-Methyl-3-chlorobenzoic acid
3-Chloro-2-methylbenzoic acid
NSC 407522

 

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

InChI Key:HXGHMCLCSPQMOR-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC=C1Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 157.5-158.5 °C   (3)CAS
Melting Point 155-157 °C   (4)CAS
Melting Point 102 °C   (5)CAS
Melting Point 91.5 °C   (6)CAS

Specification

98%

References

 

  1. (3) Beard, Wm. Q., Jr.; Journal of Organic Chemistry 1960, V25, P334-43 CAPLUS
  2. (4) Eastham, Jerome F.; Journal of Organic Chemistry 1960, V25, P1504-6 CAPLUS
  3. (5) Kenner, James; Journal of the Chemical Society, Transactions 1921, V119, P1452-61 CAPLUS
  4. (6) Levy, Leopold F.; Journal of the Chemical Society 1930, P2788 CAPLUS
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