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CAS Number: 20357-20-4
5-bromo-2-nitrobenzaldehyde

Structure

5-bromo-2-nitrobenzaldehyde
Name: 5-bromo-2-nitrobenzaldehyde
Synonyms:
General Information
Product Number: 20357204

CAS Registry Number 20357-20-4
Name:
Benzaldehyde, 5-​bromo-​2-​nitro-
2-Nitro-5-bromobenzaldehyde
5-Bromo-2-nitrobenzaldehyde
NSC 107452

 

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/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H

InChI Key:UFRVBZVJVRHSNR-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 70.2-71.3 °C   (3)CAS
Melting Point 68.9-70.3 °C Solv: ethyl acetate (141-78-6); ligroine (8032-32-4) (1)CAS
Melting Point 68-69 °C Solv: benzene (71-43-2); cyclohexane (110-82-7) (4)CAS
Melting Point 68-69 °C   (3)CAS
Melting Point 66 °C   (5)CAS
Melting Point 61-62 °C Solv: water (7732-18-5); methanol (67-56-1) (4)CAS

Specification

98%

References
  1. (1) Kenwright, Jayne L.; Chemistry - A European Journal 2011, V17(10), P2981-2986, S2981/1-S2981/203 CAPLUS
  2. (3) Venkatesan, Hariharan; Journal of Organic Chemistry 2010, V75(10), P3488-3491 CAPLUS
  3. (4) Behr, Lyell C.; Journal of the American Chemical Society 1954, V76, P3672-5 CAPLUS
  4. (5) Diedrich, Claas Lueder; Synthesis 2008, (14), P2199-2210 CAPLUS
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