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Basic Information
CAS No.: 433-95-4
Name: 1,2-Bis(trifluoromethyl)benzene
Molecular Structure:
Molecular Structure of 433-95-4 (1,2-Bis(trifluoromethyl)benzene)
Formula: C8H4F6
Molecular Weight: 214.11
Synonyms: o-Xylene, a,a,a,a',a',a'-hexafluoro- (6CI,7CI,8CI);1,2-Bis(trifluoromethyl)benzene;1,2-Di(trifluoromethyl)benzene;o-Bis(trifluoromethyl)benzene;a,a,a,a',a',a'-Hexafluoro-o-xylene;
EINECS: 207-092-3
Density: 1.368 g/cm3
Boiling Point: 127.2 °C at 760 mmHg
Flash Point: 29.9 °C
Hazard Symbols: FlammableF
Risk Codes:  F:;
">  F:;
PSA: 0.00000
LogP: 3.72420
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Chemistry

IUPAC Name: 1,2-bis(Trifluoromethyl)benzene
Synonyms of 1,2-Bis(trifluoromethyl)benzene (CAS NO.433-95-4): alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-o-xylene ; α,α,α,α',α',α'-Hexafluoro-o-xylene
CAS NO: 433-95-4
Molecular Formula: C8H4F6
Molecular Weight: 214.11
Molecular Structure:
EINECS: 207-092-3
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.379
Molar Refractivity: 36.21 cm3
Molar Volume: 156.4 cm3
Surface Tension: 17.8 dyne/cm
Density: 1.368 g/cm3
Flash Point: 29.9 °C
Enthalpy of Vaporization: 34.99 kJ/mol
Boiling Point: 127.2 °C at 760 mmHg
Vapour Pressure: 13.7 mmHg at 25°C
SMILES: FC(F)(F)c1ccccc1C(F)(F)F
InChI: InChI=1/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H
InChIKey: XXZOEDQFGXTEAD-UHFFFAOYAV
Std. InChI: InChI=1S/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H
Std. InChIKey: XXZOEDQFGXTEAD-UHFFFAOYSA-N

Safety Profile

Hazard Codes: FlammableF
Hazard Note: Flammable