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196314-61-1

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Basic Information
CAS No.: 196314-61-1
Name: 3-(BICYCLO[2.2.1]HEPT-5-EN-2-YL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)PROPAN-2-OL
Molecular Structure:
Molecular Structure of 196314-61-1 (3-(BICYCLO[2.2.1]HEPT-5-EN-2-YL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)PROPAN-2-OL)
Formula: C11H12F6O
Molecular Weight: 274.206
Synonyms: Bicyclo[2.2.1]hept-5-ene-2-ethanol, α,α-bis(trifluoromethyl)-;
Density: 1.375 g/cm3
Boiling Point: 261.74 °C at 760 mmHg
Flash Point: 112.097 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 20.23000
LogP: 3.44440
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Specification

The Bicyclo[2.2.1]hept-5-ene-2-ethanol,a,a-bis(trifluoromethyl)-, with the CAS registry number 196314-61-1, is also known as Bicyclo[2.2.1]hept-5-ene-2-ethanol, α,α-bis(trifluoromethyl)-. This chemical's molecular formula is C11H12F6O and molecular weight is 274.2028. What's more, its systematic name which is also called 2-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Physical properties about Bicyclo[2.2.1]hept-5-ene-2-ethanol,a,a-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1007; (6)ACD/BCF (pH 7.4): 1001; (7)ACD/KOC (pH 5.5): 4909; (8)ACD/KOC (pH 7.4): 4883; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 50.945 cm3; (15)Molar Volume: 199.428 cm3; (16)Polarizability: 20.196×10-24 cm3; (17)Surface Tension: 29.085 dyne/cm; (18)Density: 1.375 g/cm3; (19)Flash Point: 112.097 °C; (20)Enthalpy of Vaporization: 58.011 kJ/mol; (21)Boiling Point: 261.74 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should 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)(CC2CC1/C=C\C2C1)C(F)(F)F
(2) InChI: InChI=1/C11H12F6O/c12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6/h1-2,6-8,18H,3-5H2
(3) InChIKey: NIQLOLNJWXWZHX-UHFFFAOYAA