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Basic Information
CAS No.: 400-41-9
Name: 2-BROMO-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE
Molecular Structure:
Molecular Structure of 400-41-9 (2-BROMO-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE)
Formula: C4HBrF6
Molecular Weight: 242.946
Synonyms: 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene;
Density: 1.813 g/cm3
Boiling Point: 134.3 °C at 760 mmHg
Flash Point: 35 °C
Hazard Symbols: ToxicT,IrritantXi
Risk Codes: 23/24/25
Safety: 23-36/37/39
PSA: 0.00000
LogP: 3.38980
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Raw Materials
384-50-9
692-50-2
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Specification

The 2-Butene,2-bromo-1,1,1,4,4,4-hexafluoro- is an organic compound with the formula C4HBrF6. The systematic name of this chemical is (2Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene. With the CAS registry number 400-41-9, it is also named as 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene.

Physical properties about 2-Butene,2-bromo-1,1,1,4,4,4-hexafluoro- are: (1)ACD/LogP: 5.59; (2)# of Rule of 5 Violations: 1; (3)Index of Refraction: 1.354; (4)Molar Refractivity: 29.12 cm3; (5)Molar Volume: 133.9 cm3; (6)Polarizability: 11.54×10-24cm3; (7)Surface Tension: 17.5 dyne/cm; (8)Density: 1.813 g/cm3; (9)Flash Point: 35 °C; (10)Enthalpy of Vaporization: 35.64 kJ/mol; (11)Boiling Point: 134.3 °C at 760 mmHg; (12)Vapour Pressure: 10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: Br\C(=C/C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
(3)InChIKey: KSWYRKGFPCBMHX-UPHRSURJBZ
(4)Std. InChI: InChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
(5)Std. InChIKey: KSWYRKGFPCBMHX-UPHRSURJSA-N