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CAS No.: | 421-83-0 |
---|---|
Name: | TRIFLUOROMETHANESULFONYL CHLORIDE |
Article Data: | 39 |
Molecular Structure: | |
Formula: | CClF3O2S |
Molecular Weight: | 168.524 |
Synonyms: | Trifluoromethylsulfonyl chloride;Trifluoromethylsulfuryl chloride;Trifluoromethylsulphonyl chloride;trifluoromethanesulfonyl chloride;Methanesulfonyl chloride, 1,1,1-trifluoro-;Methanesulfonyl chloride, trifluoro-; |
EINECS: | 207-009-0 |
Density: | 1.795 g/cm3 |
Melting Point: | -26 °C |
Boiling Point: | 30.5 °C at 760 mmHg |
Flash Point: | 32°C |
Solubility: | Hydrolyzes with water. |
Appearance: | Clear colorless to faintly colored liquid |
Hazard Symbols: | C |
Risk Codes: | 34-14 |
Safety: | 25-36/37/39-45 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 42.52000 |
LogP: | 2.15560 |
Trifluoromethylsulfenyl chloride
water
chlorine
trifluoromethane sulfonyl chloride
Conditions | Yield |
---|---|
excess of Cl2 and H2O, 20°C, 7 days; | 98% |
excess of Cl2 and H2O, 20°C, 7 days; | 98% |
Conditions | Yield |
---|---|
260°C, 2 h; | 94% |
260°C, 2 h; | 94% |
Conditions | Yield |
---|---|
With thionyl chloride; N,N-dimethyl-formamide at 40℃; for 12h; Cooling with ice; Green chemistry; | 87.5% |
With phosphorus pentachloride at 100℃; | 85% |
With phosphorus pentachloride |
methanol
trans-chlorotetrafluoro(trifluoromethyl)sulfur(VI)
trifluoromethane sulfonyl chloride
Conditions | Yield |
---|---|
in presence of (CH3)4N, 25°C, 10 h; | 75% |
in presence of (CH3)4N, 25°C, 10 h; | 75% |
chlorine
pentafluoroethanesulfinic acid
trifluoromethane sulfonyl chloride
Conditions | Yield |
---|---|
In acetic acid chlorination; | 74.6% |
In acetic acid chlorination; | 74.6% |
Conditions | Yield |
---|---|
With chlorine In water at 5℃; under 3040 Torr; for 2h; | 70% |
(Dichloroiodo)benzene
pentafluoroethanesulfinic acid
trifluoromethane sulfonyl chloride
Conditions | Yield |
---|---|
chlorination; | 65.7% |
chlorination; | 65.7% |
trifluorormethanesulfonic acid
phosphorus pentachloride
A
trifluoromethane sulfonyl chloride
B
trichlorophosphate
Conditions | Yield |
---|---|
A 63% B n/a | |
A 63% B n/a |
zinc trifluoromethanesulfonate
zinc(II) chloride
trifluoromethane sulfonyl chloride
Conditions | Yield |
---|---|
anhydr. ZnCl2, heating, Fischer burner, 4 h; fractional distn.; | 43% |
anhydr. ZnCl2, heating, Fischer burner, 4 h; fractional distn.; | 43% |
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The Trifluoromethanesulfonyl chloride, with the CAS registry number 421-83-0 and EINECS registry number 207-009-0, is a kind of lachrymatory chemical with the apperance of clear colorless to faintly colored liquid. And the molecular formula of this chemical is CClF3O2S.
The physical properties of Trifluoromethanesulfonyl chloride are as following: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.77; (6)ACD/BCF (pH 7.4): 12.77; (7)ACD/KOC (pH 5.5): 215.51; (8)ACD/KOC (pH 7.4): 215.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.359; (14)Molar Refractivity: 20.68 cm3; (15)Molar Volume: 93.8 cm3; (16)Polarizability: 8.2×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 1.795 g/cm3; (19)Enthalpy of Vaporization: 26.46 kJ/mol; (20)Boiling Point: 30.5 °C at 760 mmHg; (21)Vapour Pressure: 624 mmHg at 25°C.
Uses of Trifluoromethanesulfonyl chloride: It can react with 2-aziridin-1-yl-ethanol to produce 2-(1-aziridinyl)ethyl trifluoromethanesulfonate. This reaction will need reagent sodium hydride, and the solvent tetrahydrofuran. The reaction time is 4 hours with temperature of -80°C, and the yield is about 65%.
You should be cautious while dealing with this chemical. It reacts violently with water, and may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)S(Cl)(=O)=O
(2)InChI: InChI=1/CClF3O2S/c2-8(6,7)1(3,4)5
(3)InChIKey: GRGCWBWNLSTIEN-UHFFFAOYAL