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CAS Number: 355134-13-3
3-bromo-5-nitrobenzaldehyde

Structure

 3-bromo-5-nitrobenzaldehyde
Name: 3-bromo-5-nitrobenzaldehyde
Synonyms:
General Information
Product Number: 355134133

CAS Registry Number 355134-13-3
Name:
Benzaldehyde, 3-​bromo-​5-​nitro-
3-Bromo-5-nitrobenzaldehyde

 

Chemical Formula: C7H4BrNO3
Exact Mass: 228.94
Molecular Weight: 230.02
m/z: 228.94 (100.0%), 230.94 (98.2%), 229.94 (7.7%), 231.94 (7.5%)

 

InChI:InChI=1S/C7H4BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H

InChI Key:OUDCOMBHRXKPIJ-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O

 

Thermal Properties Value Condition Note
Melting Point 100 °C Solv: ligroine (8032-32-4) (3)CAS
Melting Point 98-100 °C Solv: hexane (110-54-3); toluene (108-88-3) (1)CAS
Melting Point 97-99 °C Solv: hexane (110-54-3) (2)CAS

Specification

98%
References
  1. (1) Hartley, C. Scott; Journal of the American Chemical Society 2007, V129(15), P4512-4513 CAPLUS
  2. (2) Rajesh, K.; Journal of Organic Chemistry 2007, V72(15), P5867-5869 CAPLUS
  3. (3) Blanksma, J. J.; Chemisch Weekblad 1913, V9, P862-70 CAPLUS
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