CAS No.421-83-0,TRIFLUOROMETHANESULFONYL CHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	421-83-0
Name:	TRIFLUOROMETHANESULFONYL CHLORIDE
Article Data:	39

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

Synthetic route

: 421-17-0
Trifluoromethylsulfenyl chloride

: 7732-18-5
water

: 7782-50-5
chlorine

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
excess of Cl2 and H2O, 20°C, 7 days;	98%
excess of Cl2 and H2O, 20°C, 7 days;	98%

...Expand

: PCl5*ZnCl2

: 54010-75-2
zinc trifluoromethanesulfonate

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
260°C, 2 h;	94%
260°C, 2 h;	94%

: 1493-13-6
trifluorormethanesulfonic acid

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

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

: 67-56-1
methanol

: 25030-42-6, 42179-04-4
trans-chlorotetrafluoro(trifluoromethyl)sulfur(VI)

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
in presence of (CH3)4N, 25°C, 10 h;	75%
in presence of (CH3)4N, 25°C, 10 h;	75%

: 7782-50-5
chlorine

: 344324-36-3
pentafluoroethanesulfinic acid

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
In acetic acid chlorination;	74.6%
In acetic acid chlorination;	74.6%

: 351-60-0
benzyl trifluoromethyl sulfide

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
With chlorine In water at 5℃; under 3040 Torr; for 2h;	70%

: 932-72-9
(Dichloroiodo)benzene

: 344324-36-3
pentafluoroethanesulfinic acid

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
chlorination;	65.7%
chlorination;	65.7%

: 1493-13-6
trifluorormethanesulfonic acid

: 10026-13-8, 874483-75-7
phosphorus pentachloride

A: 421-83-0
trifluoromethane sulfonyl chloride

B: 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate

Conditions

Conditions	Yield
	A 63% B n/a
	A 63% B n/a

...Expand

: 54010-75-2
zinc trifluoromethanesulfonate

: 7646-85-7
zinc(II) chloride

: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
anhydr. ZnCl2, heating, Fischer burner, 4 h; fractional distn.;	43%
anhydr. ZnCl2, heating, Fischer burner, 4 h; fractional distn.;	43%

: 421-17-0
Trifluoromethylsulfenyl chloride

: 7722-84-1
dihydrogen peroxide

A: 372-64-5
Bis(trifluoromethyl)disulfid

B: 1493-13-6
trifluorormethanesulfonic acid

C: 421-83-0
trifluoromethane sulfonyl chloride

Conditions

Conditions	Yield
35% H2O2 soln.;	A 35% B 7% C 40%
35% H2O2 soln.;	A 35% B 7% C 40%

...Expand

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Specification

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%.

Trifluoromethanesulfonyl chloride can react with 2-aziridin-1-yl-ethanol to produce 2-(1-aziridinyl)ethyl trifluoromethanesulfonate

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