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Cas Database

Name	Thionyl fluoride	EINECS	231-997-2
CAS No.	7783-42-8	Density	1.758 g/cm³
PSA	36.28000	LogP	1.36980
Solubility	Hydrolysis in water, soluble in ethanol and benzene	Melting Point	-129 °C
Formula	F₂OS	Boiling Point	-43.8 °C
Molecular Weight	86.0622	Flash Point	N/A
Transport Information	N/A	Appearance	Colorless gas
Safety	36/37/39-45	Risk Codes	20-34
Molecular Structure		Hazard Symbols	C,F,T
Synonyms	Sulfurdifluoride monoxide;Sulfur difluoride oxide;Sulfur fluoride oxide (SF₂O);Sulfur oxide fluoride (SOF₂);Sulfur oxyfluoride (SOF₂);Sulfurous oxyfluoride;Thionyl difluoride;	Article Data	123

Thionyl fluoride Synthetic route

: 7783-72-4, 44247-54-3
vanadium pentafluoride

: 7446-09-5
sulfur dioxide

: 7783-42-8
thionyl fluoride

Conditions

Conditions	Yield
byproducts: VOF3; vigorous react.;	97.8%

: 7719-09-7
thionyl chloride

: 7782-41-4
fluorine

: 7783-42-8
thionyl fluoride

Conditions

Conditions	Yield
In further solvent(s) fluorination (N2 carrier gas (ratio F/N2 1:5), -50°C, als solvent freon-11);	80%
In neat (no solvent) at 0°C under inflammation (pale blue); further oxifluoride formed;;

: 1186-51-2
(trifluoroethenyl)pentafluorosulfur(VI)

A: 640723-20-2, 2699-79-8, 12769-73-2
fluorosulfonyl fluoride

B: 42310-84-9
bis(pentafluorosulfur)oxide

C: 75-72-9
chlorotrifluoromethane

D: 54555-26-9
difluoro(pentafluorosulfanyl)acetyl fluoride

E: 7783-42-8
thionyl fluoride

Conditions

Conditions	Yield
With oxygen 25°C, 12 h, further product;	A n/a B n/a C n/a D 72% E n/a
With O2 25°C, 12 h, further product;	A n/a B n/a C n/a D 72% E n/a
With ozone 25°C, 12 h, further product;	A n/a B n/a C n/a D 52% E n/a
With O3 25°C, 12 h, further product;	A n/a B n/a C n/a D 52% E n/a

...Expand

: 22687-88-3
(1,2-dibromotrifluoroethyl)pentafluorosulfur(VI)

A: 640723-20-2, 2699-79-8, 12769-73-2
fluorosulfonyl fluoride

B: 5714-22-7
disulfur decafluoride

C: 354-49-4
1,2,2-tribromo-1,1,2-trifluoroethane

D: 7783-61-1
silicon tetrafluoride

E: 7783-42-8
thionyl fluoride

Conditions

Conditions	Yield
Irradiation (UV/VIS); irradiated (Hanovia S 500 lamp) in silica ampule, 20 h, further products;	A n/a B n/a C 49% D n/a E n/a

...Expand

: 7719-09-7
thionyl chloride

: 2127-74-4
1,2,2,2-tetrafluoro-ethanesulfonyl fluoride

: 121-44-8
triethylamine

A: 14177-25-4
thionyl chlorofluoride

B: 25221-39-0
1-chlorotetrafluoroethanesulfonyl chloride

C: 7783-42-8
thionyl fluoride

Conditions

Conditions	Yield
-70°C;	A n/a B 47% C n/a
-70°C;	A n/a B 47% C n/a

...Expand

: 13997-90-5
chlorine fluorosulfate

: 7783-60-0
sulfur tetrafluoride

A: 88548-62-3, 88588-20-9
SF4(Cl)OSO2F

B: 7783-42-8
thionyl fluoride

Conditions

Conditions	Yield
In neat (no solvent) ClOSO2F transferred under static vac. to FEP reactor, SF4 condensed andreactor placed in 0°C bath and left for 1.5 h; reactor cooled to -95°C, volatile materials pumped from -95 to -70°C, reactor allowed to warm to room temp., volatile materials pumped into -196°C trap and fractionated, product refractionated through -63°C trap;	A 46% B n/a

: 12395-41-4
bis(pentafluorosulfur) peroxide

: 7446-09-5
sulfur dioxide

A: 173009-97-7, 118492-84-5, 13709-54-1
thionyl tetrafluoride

B: 81439-35-2
pentafluorosulfur fluorosulfonate

C: 7446-11-9
sulfur trioxide

D: 7783-42-8
thionyl fluoride

E: 2551-62-4
sulphur hexafluoride

Conditions

Conditions	Yield
byproducts: SiF4, sulfur; other Radiation; photochemical reaction with 253.7 nm radiation, 48 h;	A n/a B 45% C n/a D n/a E n/a

...Expand

: 505-14-6
thiocyanogen

: 7782-41-4
fluorine

A: 15930-75-3
thiazyl trifluoride

B: 1512-13-6
sulphur cyanide pentafluoride

C: 7783-60-0
sulfur tetrafluoride

D: 7783-42-8
thionyl fluoride

E: 2551-62-4
sulphur hexafluoride

Conditions

Conditions	Yield
In further solvent(s) byproducts: (FCN)3; reactn. of a soln. of dirhodane in FCl2C-CClF2 with diluted F2 (F2:N2 0 1:10); cooled down to -183°C; solvent removed by condensation; mixt. condensed to aq. KOH-soln. at room temp. to remove SF4, SOF and (FCN)3; sepn. by fractionated condensation at -127°C, -140°C, -196°C;	A 8% B 5% C 30% D 40% E 3%

...Expand

: 7783-54-2
nitrogen trifluoride

: 7446-11-9
sulfur trioxide

A: 640723-20-2, 2699-79-8, 12769-73-2
fluorosulfonyl fluoride

B: 2NO(1+)*S2O5F4(2-)=(NO)2S2O5F4

C: 7783-42-8
thionyl fluoride

D: 2551-62-4
sulphur hexafluoride

Conditions

Conditions	Yield
byproducts: NO, NO2; 520 °C, nickel tube;	A 30% B n/a C 4% D <1

...Expand

: potassium fluoride

: S8(2+)*2AsF6(1-) = S8(AsF6)2

: 7783-42-8
thionyl fluoride

Conditions

Conditions	Yield
In liquid sulphur dioxide	15%

Thionyl fluoride Consensus Reports

Reported in EPA TSCA Inventory.

Thionyl fluoride Standards and Recommendations

OSHA PEL: TWA 2.5 mg(F)/m³
ACGIH TLV: TWA 2.5 mg(F)/m³; BEI: 3 mg/g creatinine of fluorides in urine prior to shift; 10 mg/g creatinine of fluorides in urine at end of shift.
NIOSH REL: (Inorganic Fluorides) TWA 2.5 mg(F)/m³

Thionyl fluoride Specification

The Thionyl fluoride with CAS registry number of 7783-42-8 is also known as Sulfur difluoride monoxide. The systematic name is Thionyl difluoride. Its EINECS registry number is 231-997-2. In addition, the formula is F₂OS and the molecular weight is 86.06. This chemical is a colorless gas. Besides, it is a a useful reagent as the related derivative.

Physical properties about Thionyl fluoride are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)Polar Surface Area: 36.28Å²; (8)Index of Refraction: 1.376; (9)Molar Refractivity: 11.23 cm³; (10)Molar Volume: 48.9 cm³; (11)Polarizability: 4.45×10^-24cm³; (12)Surface Tension: 38.7 dyne/cm; (13)Density: 1.758 g/cm³; (14)Flash Point: °C; (15)Enthalpy of Vaporization: 21.8 kJ/mol; (16)Boiling Point: °C at 760 mmHg; (17)Vapour Pressure: 7510 mmHg at 25 °C.

Preparation of Thionyl fluoride: it is prepared by the reaction of thionyl chloride with fluoride sources such as antimony trifluoride.

3SOCl₂+2SbF₃→3SOF₂+2SbCl₃

When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation and may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: O=S(F)F
2. InChI: InChI=1S/F2OS/c1-4(2)3
3. InChIKey: LSJNBGSOIVSBBR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LCLo	inhalation	260ppm/1H (260ppm)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 34, Pg. 581, 1973.
rabbit	LCLo	inhalation	1000ppm/1H (1000ppm)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 34, Pg. 581, 1973.

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