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2252-79-1

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Basic Information
CAS No.: 2252-79-1
Name: 2-Bromo-1,1,1,3,3,3-hexafluoropropane
Article Data: 4
Molecular Structure:
Molecular Structure of 2252-79-1 (2-Bromo-1,1,1,3,3,3-hexafluoropropane)
Formula: C3HBrF6.
Molecular Weight: 230.935
Synonyms: 2-Bromo-1,1,1,3,3,3-hexafluoropropane;2-Bromo-2-hydroperfluoropropane;1,1,1,3,3,3-Hexafluoro-2-bromo-propane
Density: 1.856 g/cm3
Boiling Point: 36.219 °C at 760 mmHg
Flash Point: -24.293 °C
PSA: 0.00000
LogP: 2.87450
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Specification

The 2-Bromo-1,1,1,3,3,3-hexafluoropropane, with the CAS registry number of 2252-79-1, is also known as 2-Bromo-2-hydroperfluoropropane. This chemical's molecular formula is C3HBrF6. What's more, its systematic name is 2-Bromo-1,1,1,3,3,3-hexafluoropropane.

Physical properties about the 2-Bromo-1,1,1,3,3,3-hexafluoropropane are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 63; (6)ACD/BCF (pH 7.4): 63; (7)ACD/KOC (pH 5.5): 677; (8)ACD/KOC (pH 7.4): 677; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.318; (14)Molar Refractivity: 24.552 cm3; (15)Molar Volume: 124.397 cm3; (16)Surface Tension: 15.864 dyne/cm; (17)Density: 1.856 g/cm3; (18)Flash Point: -24.293 °C; (19)Enthalpy of Vaporization: 26.949 kJ/mol; (20)Boiling Point: 36.219 °C at 760 mmHg; (21)Vapour Pressure: 507.555 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Bromoundecafluoro-2-methyl-3-pentanone. The reaction needs solvents Diethyl ether and liquid Ammonia
 


You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(Br)C(F)(F)F
(2) InChI: InChI=1/C3HBrF6/c4-1(2(5,6)7)3(8,9)10/h1H
(3) InChIKey: JNUYTCRSXFUQHQ-UHFFFAOYAU