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CAS Number: 7499-07-2
4-chloro-2-methylbenzoic acid

Structure

4-chloro-2-methylbenzoic acid
Name: 4-chloro-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 7499072
CAS Registry Number: 7499-07-2
Name:
Benzoic acid, 4-​chloro-​2-​methyl-
o-​Toluic acid, 4-​chloro- (6CI,​8CI); 4-​Chloro-​2-​methylbenzoic acid; 4-​Chloro-​o-​toluic acid; NSC 407521 
 
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%)
Elemental Analysis: C, 56.32; H, 4.14; Cl, 20.78; O, 18.76
 
InChI: InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: XXFKOBGFMUIWDH-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC(=C1)Cl)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 169.5-170 °C   (2)CAS
Melting Point 168.5-170.0 °C   (3)CAS
Melting Point 167-169 °C   (4)CAS
Melting Point 166-167 °C   (5)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Gohier, Frederic; Journal of Organic Chemistry 2005, V70(4), P1501-1504 CAPLUS
  2. (2) Kovacic, Peter; Journal of Organic Chemistry 1961, V26, P762-5 CAPLUS
  3. (3) Newman, Melvin S.; Journal of the American Chemical Society 1959, V81, P6450-4 CAPLUS
  4. (4) Yagupol'skii, L. M.; Zhurnal Obshchei Khimii 1966, V36(10), P1811-15 CAPLUS
  5. (5) v. Auwers, K.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1922, V55B, P2167-91 CAPLUS
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