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CAS No.: | 400-43-1 |
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Name: | 2-CHLORO-1,1,1,4,4,4-HEXAFLUOROBUTANE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H3ClF6 |
Molecular Weight: | 200.511 |
Synonyms: | 2-Chloro-1,1,1,4,4,4-hexafluorobutane;HCFC 346; |
Density: | 1.441 g/cm3 |
Boiling Point: | 56.5 °C at 760 mmHg |
Hazard Symbols: | Xi |
Safety: | 23-24/25 |
PSA: | 0.00000 |
LogP: | 3.10850 |
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The CAS registry number of Butane,2-chloro-1,1,1,4,4,4-hexafluoro- is 400-43-1. This chemical's molecular formula is C4H3ClF6 and molecular weight is 200.51. What's more, its systematic name is 2-Chloro-1,1,1,4,4,4-hexafluorobutane.
Physical properties about Butane,2-chloro-1,1,1,4,4,4-hexafluoro- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.31; (6)ACD/BCF (pH 7.4): 42.31; (7)ACD/KOC (pH 5.5): 507.99; (8)ACD/KOC (pH 7.4): 507.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.303; (14)Molar Refractivity: 26.3 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 10.42×10-24 cm3; (17)Surface Tension: 15.1 dyne/cm; (18)Density: 1.441 g/cm3; (19)Enthalpy of Vaporization: 28.69 kJ/mol; (20)Boiling Point: 56.5 °C at 760 mmHg; (21)Vapour Pressure: 239 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. During using it, you should avoid contact with eyes. Besides, 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: FC(F)(F)CC(Cl)C(F)(F)F
(2) InChI: InChI=1/C4H3ClF6/c5-2(4(9,10)11)1-3(6,7)8/h2H,1H2
(3) InChIKey: PREWBNUKNNTMHC-UHFFFAOYAP