Product Name

  • Name

    ALPHA-(TRIFLUOROMETHYL)BENZHYDROL

  • EINECS
  • CAS No. 379-18-0
  • Article Data47
  • CAS DataBase
  • Density 1.26 g/cm3
  • Solubility
  • Melting Point 74 °C
  • Formula C14H11F3O
  • Boiling Point 327.8 °C at 760 mmHg
  • Molecular Weight 252.236
  • Flash Point 135.4 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 379-18-0 (ALPHA-(TRIFLUOROMETHYL)BENZHYDROL)
  • Hazard Symbols IrritantXi
  • Synonyms Benzhydrol,a-(trifluoromethyl)- (7CI,8CI);2,2,2-Trifluoro-1,1-diphenylethanol;NSC 42678;
  • PSA 20.23000
  • LogP 3.48480

Benzenemethanol, α-phenyl-α-(trifluoromethyl)- Specification

The Benzenemethanol, α-phenyl-α-(trifluoromethyl)- is an organic compound with the formula C14H11F3O. The IUPAC name of this chemical is 2,2,2-trifluoro-1,1-diphenylethanol. With the CAS registry number 379-18-0, it is also named as Diphenyl(trifluoromethyl)carbinol.

Physical properties about Benzenemethanol, α-phenyl-α-(trifluoromethyl)- are: (1)ACD/LogP: 3.89; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 9.23 Å2; (6)Index of Refraction: 1.529; (7)Molar Refractivity: 61.76 cm3; (8)Molar Volume: 200 cm3; (9)Polarizability: 24.48×10-24cm3; (10)Surface Tension: 36 dyne/cm; (11)Density: 1.26 g/cm3; (12)Flash Point: 135.4 °C; (13)Enthalpy of Vaporization: 60.19 kJ/mol; (14)Boiling Point: 327.8 °C at 760 mmHg; (15)Vapour Pressure: 7.97E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by benzophenone and bromo-trifluoro-methane. This reaction will need reagent hexamethyldisilazane and solvent dimethylformamide. The reaction temperature is -50 °C. The yield is about 78%.

Uses of Benzenemethanol, α-phenyl-α-(trifluoromethyl)-: it can be used to produce Trifluormethylfluoren at temperature of 120 °C. It will need reagent polyphosphoric acid with reaction time of 2 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(O)(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C14H11F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H
(3)InChIKey: MJZYEOYNWIIQIV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H11F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H
(5)Std. InChIKey: MJZYEOYNWIIQIV-UHFFFAOYSA-N

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