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1-Propanesulfonylchloride, 3,3,3-trifluoro-

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Name

1-Propanesulfonylchloride, 3,3,3-trifluoro-

EINECS N/A
CAS No. 845866-80-0 Density 1.549 g/cm3
PSA 42.52000 LogP 2.58820
Solubility N/A Melting Point N/A
Formula C3H4ClF3O2S Boiling Point 169.9 °C at 760 mmHg
Molecular Weight 196.578 Flash Point 56.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34-14
Molecular Structure Molecular Structure of 845866-80-0 (3,3,3-TRIFLUOROPROPANE-1-SULFONYL CHLORIDE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

3,3,3-Trifluoropropane-1-sulfonylchloride;3,3,3-Trifluoropropanesulfonyl chloride;

 

1-Propanesulfonylchloride, 3,3,3-trifluoro- 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

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