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7783-42-8

Basic Information
CAS No.: 7783-42-8
Name: Thionyl fluoride
Article Data: 123
Molecular Structure:
Molecular Structure of 7783-42-8 (Thionyl fluoride)
Formula: F2OS
Molecular Weight: 86.0622
Synonyms: Sulfurdifluoride monoxide;Sulfur difluoride oxide;Sulfur fluoride oxide (SF2O);Sulfur oxide fluoride (SOF2);Sulfur oxyfluoride (SOF2);Sulfurous oxyfluoride;Thionyl difluoride;
EINECS: 231-997-2
Density: 1.758 g/cm3
Melting Point: -129 °C
Boiling Point: -43.8 °C
Solubility: Hydrolysis in water, soluble in ethanol and benzene
Appearance: Colorless gas
Hazard Symbols: CorrosiveC,FlammableF,ToxicT
Risk Codes: 20-34
Safety: 36/37/39-45
PSA: 36.28000
LogP: 1.36980
Synthetic route
7783-72-4, 44247-54-3

vanadium pentafluoride

7446-09-5

sulfur dioxide

7783-42-8

thionyl fluoride

Conditions
ConditionsYield
byproducts: VOF3; vigorous react.;97.8%
7719-09-7

thionyl chloride

7782-41-4

fluorine

7783-42-8

thionyl fluoride

Conditions
ConditionsYield
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
ConditionsYield
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
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
ConditionsYield
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
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
ConditionsYield
-70°C;A n/a
B 47%
C n/a
-70°C;A n/a
B 47%
C n/a
13997-90-5

chlorine fluorosulfate

7783-60-0

sulfur tetrafluoride

B

7783-42-8

thionyl fluoride

Conditions
ConditionsYield
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

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

potassium fluoride

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

7783-42-8

thionyl fluoride

Conditions
ConditionsYield
In liquid sulphur dioxide15%
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Consensus Reports

Reported in EPA TSCA Inventory.

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

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.