CAS No.134418-70-5,1,1,1-TRIFLUORO-2-PHENYL-3-BUTEN-2-OL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	134418-70-5
Name:	1,1,1-TRIFLUORO-2-PHENYL-3-BUTEN-2-OL
Article Data:	8

Formula:	C₁₀H₉F₃O
Molecular Weight:	202.176
Synonyms:	2-Phenyl-1,1,1-trifluoro-3-buten-2-ol;
Density:	1.224 g/cm³
Melting Point:	89-90 °C(lit.)
Boiling Point:	237.5 °C at 760 mmHg
Flash Point:	104.9 °C
Appearance:	clear yellow liquid
Hazard Symbols:	F, Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	2.62250

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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