Product Name

  • Name

    1,1,1-TRIFLUORO-2-PHENYL-3-BUTEN-2-OL

  • EINECS
  • CAS No. 134418-70-5
  • Article Data8
  • CAS DataBase
  • Density 1.224 g/cm3
  • Solubility
  • Melting Point 89-90 °C(lit.)
  • Formula C10H9F3O
  • Boiling Point 237.5 °C at 760 mmHg
  • Molecular Weight 202.176
  • Flash Point 104.9 °C
  • Transport Information
  • Appearance clear yellow liquid
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 134418-70-5 (1,1,1-TRIFLUORO-2-PHENYL-3-BUTEN-2-OL)
  • Hazard Symbols FlammableF, IrritantXi
  • Synonyms 2-Phenyl-1,1,1-trifluoro-3-buten-2-ol;
  • PSA 20.23000
  • LogP 2.62250

Benzenemethanol,a-ethenyl-a-(trifluoromethyl)- Specification

The Benzenemethanol, a-ethenyl-a-(trifluoromethyl)-, with the CAS registry number 134418-70-5, is also known as 2-Phenyl-1, 1, 1-trifluoro-3-buten-2-ol. This chemical's molecular formula is C10H9F3O and molecular weight is 202.17. What's more, its systematic name is 1, 1, 1-Trifluoro-2-phenylbut-3-en-2-ol.

Physical properties about Benzenemethanol, a-ethenyl-a-(trifluoromethyl)- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 143.26; (6)ACD/BCF (pH 7.4): 143.23; (7)ACD/KOC (pH 5.5): 1216.07; (8)ACD/KOC (pH 7.4): 1215.86; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 46.35 cm3; (15)Molar Volume: 165.1 cm3; (16)Polarizability: 18.37×10-24 cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 104.9 °C; (20)Enthalpy of Vaporization: 50.13 kJ/mol; (21)Boiling Point: 237.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0244 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical that may catch fire in contact with air, only need brief contact with an ignition source, have a very low flash point or evolve highly flammable gases in contact with water.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(O)(\C=C)c1ccccc1
(2) InChI: InChI=1/C10H9F3O/c1-2-9(14,10(11,12)13)8-6-4-3-5-7-8/h2-7,14H,1H2
(3) InChIKey: QZTXJLLJGFCKCH-UHFFFAOYAQ

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