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CAS Number: 78775-11-8
4-bromo-3-methylbenzaldehyde

Structure

4-bromo-3-methylbenzaldehyde
Name: 4-bromo-3-methylbenzaldehyde
Synonyms:
General Information
Product Number: 78775118
CAS Registry Number: 78775-11-8
Name:
Benzaldehyde, 4-​bromo-​3-​methyl-
m-​Tolualdehyde, 4-​bromo- (7CI); 4-​Bromo-​3-​methylbenzaldehyde 
 
Chemical Formula: C8H7BrO
Exact Mass: 197.97
Molecular Weight: 199.04
m/z: 197.97 (100.0%), 199.97 (97.8%), 198.97 (8.8%), 200.97 (8.5%)
Elemental Analysis: C, 48.27; H, 3.54; Br, 40.14; O, 8.04
 
InChI: InChI=1S/C8H7BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
InChIKey: YBXGUHGVNUFFJU-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC(=C1)C=O)Br
 
Thermal Properties Value Condition Note
Boiling Point 114-116 °C Press: 6 Torr (1)CAS

Specification

98%

References
  1. (1) Vernekar, S. S.; Monatshefte fuer Chemie 1962, V93, P271-3 CAPLUS
  2. (2) Combs, Andrew P.; Journal of Medicinal Chemistry 2006, V49(13), P3774-3789 CAPLUS
  3. (3) Adams, Nicholas D.; Journal of Medicinal Chemistry 2010, V53(10), P3973-4001 CAPLUS
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