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| CAS No.: | 460-34-4 |
|---|---|
| Name: | 1,1,1-TRIFLUOROBUTANE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C4H7F3 |
| Molecular Weight: | 112.095 |
| Synonyms: | 1,1,1-Trifluorobutane; |
| Density: | 1.01 g/cm3 |
| Melting Point: | -115 °C |
| Boiling Point: | 25.3 °C at 760 mmHg |
| Risk Codes: | 11 |
| Safety: | 9-16-33 |
| Transport Information: | UN 3161 |
| PSA: | 0.00000 |
| LogP: | 2.34880 |
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Specification
The Butane, 1, 1, 1-trifluoro, with the CAS registry number of 460-34-4, is also known as HFC-383M. This chemical's molecular formula is C4H7F3 and molecular weight is 112.09. What's more, its systematic name is called 1, 1, 1-Trifluorobutane.
Physical properties about Butane, 1, 1, 1-trifluoro are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.26; (6)ACD/BCF (pH 7.4): 16.26; (7)ACD/KOC (pH 5.5): 256.14; (8)ACD/KOC (pH 7.4): 256.14; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.304; (14)Molar Refractivity: 21.03 cm3; (15)Molar Volume: 110.9 cm3; (16)Surface Tension: 14 dyne/cm; (17)Density: 1.01 g/cm3; (18)Enthalpy of Vaporization: 26.02 kJ/mol; (19)Boiling Point: 25.3 °C at 760 mmHg; (20)Vapour Pressure: 752 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition. What's more, it must be placed in a well-ventilated place. And take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCC(F)(F)F
(2) InChI: InChI=1/C4H7F3/c1-2-3-4(5,6)7/h2-3H2,1H3
(3) InChIKey: LDRPULCXZDDSGE-UHFFFAOYAU