CAS Registry Number: 60632-40-8

Name:

Benzaldehyde, 2-​bromo-​4-​hydroxy-​5-​methoxy-
Vanillin, 6-​bromo- (6CI); 2-​Bromo-​4-​hydroxy-​5-​methoxybenzaldehyde; 6-​Bromovanillin 

Chemical Formula: C8H7BrO3
Exact Mass: 229.96
Molecular Weight: 231.04
m/z: 229.96 (100.0%), 231.96 (98.2%), 230.96 (8.8%), 232.96 (8.6%)

InChI: InChI=1S/C8H7BrO3/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-4,11H,1H3
InChIKey: FVNRNBGSHCWQPD-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C(=C1)C=O)Br)O

Specification

98%

1. (1) Kolehmainen, Erkki; Magnetic Resonance in Chemistry 1992, V30(3), P253-8 CAPLUS
2. (2) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
3. (3) Martin, Pierre; Helvetica Chimica Acta 1989, V72(7), P1554-82 CAPLUS
4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
5. (5) Raiford, L. Chas; Journal of Organic Chemistry 1938, V3, P11-15 CAPLUS
6. (6) Raiford, L. Chas.; Journal of the American Chemical Society 1927, V49, P1077-80 CAPLUS
7. (7) Ishikawa, Hisao; J. Japan. Forest. Soc. 1953, V35, P121-8 CAPLUS
8. (8) Lai, Chien-Hsun; Journal of Organic Chemistry 2002, V67(18), P6493-6502 CAPLUS