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Hexafluoropropene trimer (6792-31-0)

Identification
Name:Hexafluoropropene trimer
Synonyms:Trimer of hexafluoropropene (isomeric mixture);Hexafluoropropene trimer(isomeric mixture);
CAS:6792-31-0
EINECS: -0
Molecular Formula: C9F18
Molecular Weight: 450.07
InChI: InChI=1/C9F18/c10-3(11,7(21,8(22,23)24)9(25,26)27)1(4(12,13)14)2(5(15,16)17)6(18,19)20
Molecular Structure: (C9F18) Trimer of hexafluoropropene (isomeric mixture);Hexafluoropropene trimer(isomeric mixture);
Properties
Transport:UN 1993
Flash Point: 75?
Density:1.83
Refractive index:1.273
Appearance:colorless liquid
Specification:

The systematic name of Hexafluoropropene trimer is 1,1,1,4,4,5,6,6,6-Nonafluoro-2,3,5-tris(trifluoromethyl)hex-2-ene. With the CAS registry number 6792-31-0, it is also named as 2-Hexene, 1,1,1,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)-. The product's categories are refrigerants, alkenyl, halogenated hydrocarbons, organic building blocks. Moreover, its molecular formula is C9F18, and molecular weight is 450.07. 

The other characteristics of Hexafluoropropene trimer can be summarized as: (1)ACD/LogP: 8.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.63; (4)ACD/LogD (pH 7.4): 8.63; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1176870.75; (8)ACD/KOC (pH 7.4): 1176870.75; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.273; (13)Molar Refractivity: 46.19 cm3; (14)Molar Volume: 268.7 cm3; (15)Polarizability: 18.31×10-24cm3; (16)Surface Tension: 12.6 dyne/cm; (17)Density: 1.674 g/cm3; (18)Flash Point: 50.8 °C; (19)Enthalpy of Vaporization: 37.33 kJ/mol; (20)Boiling Point: 152.5 °C at 760 mmHg; (21)Vapour Pressure: 4.46 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: Hexafluoropropene trimer is flammable, so please keep away from sources of ignition. Besides, it is harmful by inhalation, in contact with skin and if swallowed, and irritating to eyes, respiratory system and skin. When you use it, please wear suitable protective clothing, gloves and eye/face protection. In addition, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)C(F)(C(F)(F)\C(=C(/C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
(2)InChI:InChI=1/C9F18/c10-3(11,7(21,8(22,23)24)9(25,26)27)1(4(12,13)14)2(5(15,16)17)6(18,19)20
(3)InChIKey:WQVUNWUPDZCKNZ-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C9F18/c10-3(11,7(21,8(22,23)24)9(25,26)27)1(4(12,13)14)2(5(15,16)17)6(18,19)20
(5)Std. InChIKey:WQVUNWUPDZCKNZ-UHFFFAOYSA-N

Packinggroup: III
Flash Point: 75?
Safety Data
Hazard Symbols Xn:Harmful
 

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