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CAS No.: | 692-50-2 |
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Name: | Hexafluoro-2-butyne |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C4F6 |
Molecular Weight: | 162.034 |
Synonyms: | 2-Butyne,hexafluoro- (6CI,7CI);1,1,1,4,4,4-Hexafluoro-2-butyne;Bis(trifluoromethyl)acetylene;Hexafluoro-2-butyne;Perfluoro-2-butyne;1,1,1,4,4,4-Hexafluorobut-2-yne; |
EINECS: | 211-732-7 |
Density: | 1.464 g/cm3 |
Melting Point: | -117 °C |
Boiling Point: | -25 °C |
Flash Point: | -36℃ |
Solubility: | Insoluble in water |
Appearance: | colorless gas |
Hazard Symbols: | F+,T,F |
Risk Codes: | 12-23 |
Safety: | 16-33-45 |
Transport Information: | UN 3160 |
PSA: | 0.00000 |
LogP: | 2.11440 |
The Hexafluoro-2-butyne, with the CAS registry number 692-50-2, is also known as N,N-Dimethyl-4-fluoro-2-nitroaniline. It belongs to the product categories of Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents. Its EINECS number is 211-732-7. This chemical's molecular formula is C4F6 and formula weight is 162.03. What's more, its IUPAC name is 1,1,1,4,4,4-hexafluorobut-2-yne.
Physical properties of Hexafluoro-2-butyne are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/BCF (pH 5.5): 160.74; (5)ACD/KOC (pH 5.5): 1320.55; (6)Index of Refraction: 1.281; (7)Molar Refractivity: 19.49 cm3; (8)Molar Volume: 110.6 cm3; (9)Surface Tension: 14.7 dyne/cm; (10)Density: 1.464 g/cm3; (11)Enthalpy of Vaporization: 21.89 kJ/mol; (12)Vapour Pressure: 4090 mmHg at 25°C.
Uses of Hexafluoro-2-butyne: it can be used to produce 1-phenyl-4,5-bis-trifluoromethyl-1H-[1,2,3]triazole at the temperature of 50°C. It will need solvent diethyl ether with the reaction time of 4 hours. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
It is extremely flammable, so you should keep it away from sources of ignition - No smoking. It is toxic by inhalation, you need take precautionary measures against static discharges. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(#CC(F)(F)F)C(F)(F)F
(2)InChI: InChI=1S/C4F6/c5-3(6,7)1-2-4(8,9)10
(3)InChIKey: WBCLXFIDEDJGCC-UHFFFAOYSA-N