CAS Registry Number: 78471-43-9

Name:

Benzoic acid, 4-​bromo-​2-​(bromomethyl)​-​, methyl ester
4-​Bromo-​2-​bromomethylbenzoic acid methyl ester; Methyl 4-​bromo-​2-​(bromomethyl)​benzoate 

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/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,5H2,1H3
InChIKey: SGFACFBLUAWICV-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=C(C=C1)Br)CBr

Specification

98%

PCT Int. Appl. (2014), WO 2014085210 A1 20140605.                                  

PCT Int. Appl. (2014), WO 2014028968 A1 20140227.