CAS Registry Number: 337536-14-8

Name:

Benzoic acid, 3-​bromo-​2-​(bromomethyl)​-​, methyl ester
3-​Bromo-​2-​bromomethylbenzoic acid methyl ester; Methyl 3-​bromo-​2-​bromomethylbenzoate 

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

Specification

98%

PCT Int. Appl. (2014), WO 2014066490 A1 20140501.                                  

PCT Int. Appl. (2014), WO 2014017643 A1 20140130.