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CAS Number: 16184-89-7
1-(4-bromophenyl)-2,2,2-trifluoroethanone

Structure

1-(4-bromophenyl)-2,2,2-trifluoroethanone
Name: 1-(4-bromophenyl)-2,2,2-trifluoroethanone
Synonyms:
General Information
Product Number: 16184897

CAS Registry Number 16184-89-7
Name:
Ethanone, 1-?(4-?bromophenyl)?-?2,?2,?2-?trifluoro-
Acetophenone, 4'-bromo-2,2,2-trifluoro- (8CI)
1-(4-Bromophenyl)-2,2,2-trifluoroethan-1-one
1-(4-Bromophenyl)-2,2,2-trifluoroethanone
2,2,2-Trifluoro-1-(4-bromophenyl)ethanone
4-Bromo-α,α,α-trifluoroacetophenone

 

Chemical Formula: C8H4BrF3O
Exact Mass: 251.94
Molecular Weight: 253.02
m/z: 251.94 (100.0%), 253.94 (97.5%), 252.94 (8.7%), 254.94 (8.5%)

 

InChI:InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

InChI Key:IHGSAQHSAGRWNI-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 72 °C Press: 6 Torr (1)CAS
Boiling Point 45-47 °C Press: 4e-2 Torr (2)CAS
Melting Point 83-84 °C   (6)IC
Melting Point 29-29.5 °C   (1)CAS

Specification

98%

References
  1. (1) Livshits, B. R.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1967, (3), P614-18 CAPLUS
  2. (2) Kremlev, Mikhail M.; Journal of Fluorine Chemistry 2007, V128(11), P1385-1389 CAPLUS
  3. (6) Bushell, Michael John; EP 211561 A1 1987 CAPLUS
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