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Name |
2-Butene,2-bromo-1,1,1,4,4,4-hexafluoro- |
EINECS | N/A |
CAS No. | 400-41-9 | Density | 1.813 g/cm3 |
PSA | 0.00000 | LogP | 3.38980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4HBrF6 | Boiling Point | 134.3 °C at 760 mmHg |
Molecular Weight | 242.946 | Flash Point | 35 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 23-36/37/39 | Risk Codes | 23/24/25 |
Molecular Structure | Hazard Symbols | T,Xi | |
Synonyms |
2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene; |
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