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| CAS No.: | 845866-80-0 |
|---|---|
| Name: | 3,3,3-TRIFLUOROPROPANE-1-SULFONYL CHLORIDE |
| Molecular Structure: | |
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|
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| Formula: | C3H4ClF3O2S |
| Molecular Weight: | 196.578 |
| Synonyms: | 3,3,3-Trifluoropropane-1-sulfonylchloride;3,3,3-Trifluoropropanesulfonyl chloride; |
| Density: | 1.549 g/cm3 |
| Boiling Point: | 169.9 °C at 760 mmHg |
| Flash Point: | 56.5 °C |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34-14 |
| Safety: | 26-36/37/39-45 |
| PSA: | 42.52000 |
| LogP: | 2.58820 |
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Specification
The 1-Propanesulfonylchloride, 3,3,3-trifluoro-, with the CAS registry number 845866-80-0, is also known as Trifluoropropanesulfonyl chloride. This chemical's molecular formula is C3H4ClF3O2S and molecular weight is 196.58. What's more, its systematic name is called 3,3,3-Trifluoropropane-1-sulfonyl chloride. This chemical should be kept in a dry and airtight place.
Physical properties about 1-Propanesulfonylchloride, 3,3,3-trifluoro- are: (1) ACD/LogP: 1.42; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.42; (4) ACD/LogD (pH 7.4): 1.42; (5) ACD/BCF (pH 5.5): 7.02; (6) ACD/BCF (pH 7.4): 7.02; (7) ACD/KOC (pH 5.5): 140.46; (8) ACD/KOC (pH 7.4): 140.46; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 42.52 Å2; (13) Index of Refraction: 1.388; (14) Molar Refractivity: 29.94 cm3; (15) Molar Volume: 126.8 cm3; (16) Surface Tension: 29.9 dyne/cm; (17) Density: 1.549 g/cm3; (18)Flash Point: 56.5 °C; (19) Enthalpy of Vaporization: 38.96 kJ/mol; (20) Boiling Point: 169.9 °C at 760 mmHg; (21) Vapour Pressure: 2 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. In addition, it may destroy living tissue on contact.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)CCS(Cl)(=O)=O
(2) InChI: InChI=1/C3H4ClF3O2S/c4-10(8,9)2-1-3(5,6)7/h1-2H2
(3) InChIKey: OXKHPRFGCFJUSK-UHFFFAOYAI