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| CAS No.: | 383-53-9 |
|---|---|
| Name: | 4-(Trifluoromethyl)phenacyl bromide |
| Article Data: | 75 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H6BrF3O |
| Molecular Weight: | 267.045 |
| Synonyms: | Acetophenone,2-bromo-4'-(trifluoromethyl)- (6CI,8CI);1-(2-Bromo-1-oxoethyl)-4-trifluoromethylbenzene;2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one;2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone;4-(Trifluoromethyl)phenacyl bromide;NSC 277303; |
| EINECS: | 206-850-0 |
| Density: | 1.593 g/cm3 |
| Melting Point: | 45 °C |
| Boiling Point: | 264.2 °C at 760 mmHg |
| Flash Point: | 113.6 °C |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39-45-36 |
| PSA: | 17.07000 |
| LogP: | 3.28300 |
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Chemistry
Molecule structure of Ethanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]- (CAS NO.383-53-9):
IUPAC Name: 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone
Molecular Weight: 267.04255 g/mol
Molecular Formula: C9H6BrF3O
Density: 1.592 g/cm3
Melting Point: 45 °C
Boiling Point: 264.2 °C at 760 mmHg
Flash Point: 113.6 °C
Index of Refraction: 1.496
Molar Refractivity: 48.99 cm3
Molar Volume: 167.6 cm3
Polarizability: 19.42×10-24 cm3
Surface Tension: 32.9 dyne/cm
Enthalpy of Vaporization: 50.21 kJ/mol
Vapour Pressure: 0.00983 mmHg at 25 °C
XLogP3-AA: 3.3
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 265.955412
MonoIsotopic Mass: 265.955412
Topological Polar Surface Area: 17.1
Heavy Atom Count: 14
Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)C(F)(F)F
InChI: InChI=1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2
InChIKey: HEMROKPXTCOASZ-UHFFFAOYSA-N
Product Categories of Ethanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]- (CAS NO.383-53-9): Benzene series
Safety Profile
Hazard Codes: 
C, 
Xi
Risk Statements: 34-36/37/38
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36:Wear suitable protective clothing.
RIDADR: 1759
Hazard Note: Corrosive
HazardClass: CORROSIVE
Specification
Ethanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]- (CAS NO.383-53-9) is also named as 2-bromo-1-[4-(trifluoromethyl)phenyl]-1-ethanone ; 2-bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one ; 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone ; 2-Bromo-1-(4-trifluoromethyl-phenyl)-ethanone ; 2-Bromo-4'-(trifluoromethyl)acetophenon ; 2-Bromo-4'-(trifluoromethyl)acetophenone ; 2-Bromo-4′-(trifluoromethyl)acetophenone .