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2-Vinylhexafluoroisopropanol

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Name

2-Vinylhexafluoroisopropanol

EINECS N/A
CAS No. 19701-19-0 Density 1.422 g/cm3
PSA 20.23000 LogP 2.02810
Solubility N/A Melting Point N/A
Formula C5H4F6O Boiling Point 99.901 °C at 760 mmHg
Molecular Weight 194.077 Flash Point 14.22 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/22-34-41
Molecular Structure Molecular Structure of 19701-19-0 (2-VINYLHEXAFLUOROISOPROPANOL) Hazard Symbols CorrosiveC
Synonyms

1,1,1-Trifluoro-2-(trifluoromethyl)-3-buten-2-ol;

Article Data 4

2-Vinylhexafluoroisopropanol Specification

The systematic name of 2-Vinylhexafluoroisopropanol is 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol. With the CAS registry number 19701-19-0, it is also named as 3-Buten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-. In addition, its molecular formula is C5H4F6O and molecular weight is 194.07.

The other characteristics of 2-Vinylhexafluoroisopropanol can be summarized as: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.323; (8)Molar Refractivity: 27.35 cm3; (9)Molar Volume: 136.4 cm3; (10)Polarizability: 10.84×10-24cm3; (11)Surface Tension: 17.4 dyne/cm; (12)Density: 1.421 g/cm3; (13)Flash Point: 14.2 °C; (14)Enthalpy of Vaporization: 39.55 kJ/mol; (15)Boiling Point: 99.9 °C at 760 mmHg; (16)Vapour Pressure: 21.4 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation and if swallowed. It also may cause burns. Moreover, it is risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C(O)(\C=C)C(F)(F)F
(2)InChI: InChI=1/C5H4F6O/c1-2-3(12,4(6,7)8)5(9,10)11/h2,12H,1H2
(3)InChIKey: VUSMHPJJFLCUOR-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H4F6O/c1-2-3(12,4(6,7)8)5(9,10)11/h2,12H,1H2
(5)Std. InChIKey: VUSMHPJJFLCUOR-UHFFFAOYSA-N

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