CAS Registry Number: 74896-66-5

Name:

Benzoic acid, 3,​5-​dibromo-​4-​methyl-​, methyl ester
p-​Toluic acid, 3,​5-​dibromo-​, methyl ester (7CI); Methyl 3,​5-​dibromo-​4-​methylbenzoate 

Chemical Formula: C9H8Br2O2
Exact Mass: 305.89
Molecular Weight: 307.97
m/z: 307.89 (100.0%), 305.89 (51.3%), 309.89 (49.4%), 308.89 (9.9%), 306.89 (5.0%), 310.89 (4.8%)
Elemental Analysis: C, 35.10; H, 2.62; Br, 51.89; O, 10.39

InChI: InChI=1S/C9H8Br2O2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3
InChIKey: SRLAXDDPVYZYNI-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1Br)C(=O)OC)Br

Specification

98%

PCT Int. Appl. (2013), WO 2013161851 A1 20131031. 

PCT Int. Appl. (2008), WO 2008061108 A2 20080522.