Molecular Structure of 2-Bromo-1-[3-(trifluoromethyl)phenyl]-1-ethanone (CAS NO.2003-10-3):
IUPAC Name: 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone
Molecular Formula: C9H6BrF3O
Molecular Weight: 267.04
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 4
Melting Point: 22 °C
Index of Refraction: 1.496
Molar Refractivity: 48.99 cm3
Molar Volume: 167.6 cm3
Surface Tension: 32.9 dyne/cm
Density: 1.592 g/cm3
Flash Point: 94.4 °C
Enthalpy of Vaporization: 46.91 kJ/mol
Boiling Point: 232.4 °C at 760 mmHg V
apour Pressure: 0.059 mmHg at 25 °C
Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)CBr
InChI: InChI=1S/C9H6BrF3O/c10-5-8(14)6-2-1-3-7(4-6)9(11,12)13/h1-4H,5H2
InChIKey: TZIYNLSEBAYCBZ-UHFFFAOYSA-N
Safety Information of 2-Bromo-1-[3-(trifluoromethyl)phenyl]-1-ethanone (CAS NO.2003-10-3):
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45
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.)
RIDADR: 1760
Hazard Note: Corrosive
2-Bromo-1-[3-(trifluoromethyl)phenyl]-1-ethanone (CAS NO.2003-10-3), its Synonyms are 3-(Trifluoromethyl)phenacyl bromide ; 2-Bromo-1-[3-(trifluoromethyl)phenyl]-1-ethanone, tech ; 2-Bromo-3'-(trifluoromethyl)acetophenone ; 2-Bromo-1-(3-trifluoromethyl-phenyl)-ethanone .
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