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CAS Number: 35274-53-4
2-bromo-3,4,5-trimethoxybenzaldehyde

Structure

2-bromo-3,4,5-trimethoxybenzaldehyde
Name: 2-bromo-3,4,5-trimethoxybenzaldehyde
Synonyms:
General Information
Product Number: 35274534

CAS Registry Number 35274-53-4
Name:
Benzaldehyde, 2-?bromo-?3,?4,?5-?trimethoxy-
2-Bromo-3,4,5-trimethoxybenzaldehyde

 

Chemical Formula: C10H11BrO4
Exact Mass: 273.98
Molecular Weight: 275.10
m/z: 273.98 (100.0%), 275.98 (97.3%), 274.99 (11.1%), 276.99 (10.9%), 275.99 (1.4%), 277.99 (1.3%)

 

InChI:InChI=1S/C10H11BrO4/c1-13-7-4-6(5-12)8(11)10(15-3)9(7)14-2/h4-5H,1-3H3

InChI Key;LADPQZFHJVANIP-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=C(C(=C1)C=O)Br)OC)OC

 

Thermal Properties Value Condition Note
Melting Point 70.5-71.5 °C Solv: water (7732-18-5); ethanol (64-17-5) (7)CAS
Melting Point 70-71 °C   (5)CAS
Melting Point 69 °C   (2)CAS
Melting Point 67.5-69.2 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (4)CAS
Melting Point 67.5-69.2 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (8)CAS

Specification

98%

References
  1. (1) Jain, Nishant; ChemMedChem 2011, V6(5), P859-868 CAPLUS
  2. (2) Edwards, David J.; Organic & Biomolecular Chemistry 2011, V9(1), P219-231 CAPLUS
  3. (3) Reddy, M. Amarnath; Journal of Medicinal Chemistry 2011, V54(19), P6751-6760 CAPLUS
  4. (4) Yamada, Ken; Journal of the American Chemical Society 2003, V125(22), P6630-6631 CAPLUS
  5. (5) Bao, Weiliang; Green Chemistry 2006, V8(12), P1028-1033 CAPLUS
  6. (7) Gutsche, C. David; Journal of the American Chemical Society 1958, V80, P5756-67 CAPLUS
  7. (8) Berkenbusch, T.; Science of Synthesis 2007, V25, P689-710 CAPLUS
  8. (9) Molander, Gary A.; Journal of Organic Chemistry 2003, V68(25), P9533-9540 CAPLUS
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