CAS Registry Number: 91367-05-4

Name:

Benzoic acid, 4-​chloro-​3-​methyl-​, methyl ester
m-​Toluic acid, 4-​chloro-​, methyl ester (7CI); 4-​Chloro-​3-​methylbenzoic acid methyl ester; Methyl 4-​chloro-​3-​methylbenzoate 

Chemical Formula: C9H9ClO2
Exact Mass: 184.03
Molecular Weight: 184.62
m/z: 184.03 (100.0%), 186.03 (32.4%), 185.03 (9.8%), 187.03 (3.2%)
Elemental Analysis: C, 58.55; H, 4.91; Cl, 19.20; O, 17.33

InChI: InChI=1S/C9H9ClO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChIKey: QOTGNXMPQNGYDM-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC(=C1)C(=O)OC)Cl

Specification

98%

PCT Int. Appl. (2010), WO 2010072712 A1 20100701.                                  

PCT Int. Appl. (2009), WO 2009032667 A1 20090312.