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CAS Number: 77771-02-9
3-bromo-4-fluorobenzaldehyde

Structure

 3-bromo-4-fluorobenzaldehyde
Name: 3-bromo-4-fluorobenzaldehyde
Synonyms:
General Information
Product Number: 77771029

CAS Registry Number 77771-02-9
Name:
Benzaldehyde, 3-​bromo-​4-​fluoro-
3-Bromo-4-fluorobenzaldehyde
4-Fluoro-3-bromobenzaldehyde

 

Chemical Formula: C7H4BrFO
Exact Mass: 201.94
Molecular Weight: 203.01
m/z: 201.94 (100.0%), 203.94 (97.3%), 202.95 (7.7%), 204.94 (7.4%)

 

InChI:InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

InChI Key:FAHZIKXYYRGSHF-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1C=O)Br)F

 

Thermal Properties Value Condition Note
Boiling Point 85-108 °C Press: 8 Torr (1)IC
Boiling Point 85-108 °C Press: 8 Torr (2)IC
Boiling Point 85-108 °C Press: 8 Torr (3)IC
Melting Point 30-32 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (8)CAS

Specification

98%
References
  1. (1) Bushell, Michael John; EP 211561 A1 1987 CAPLUS
  2. (2) Whittle, Alan John; EP 227415 A2 1987 CAPLUS
  3. (3) Whittle, Alan John; EP 253536 A2 1988 CAPLUS
  4. (8) Shan, Guomin; Chemical Research in Toxicology 2004, V17(2), P218-225 CAPLUS
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