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Name |
Thiophosphoryl chloride |
EINECS | 223-622-6 |
CAS No. | 3982-91-0 | Density | 1.789 g/cm3 |
PSA | 41.90000 | LogP | 3.57790 |
Solubility | hydrolyzes in H2O, forming H3PO4, HCl, H2S; hydrolyzes rapidly in alkaline solutions; soluble benzene, CCl4, CS2, chloroform [MER06] | Melting Point |
-35 °C |
Formula | Cl3PS | Boiling Point | 125 °C at 760 mmHg |
Molecular Weight | 169.399 | Flash Point | N/A |
Transport Information | UN 1837 8/PG 2 | Appearance | UN 1837 8/PG 2 |
Safety | 26-28-36/37/39-45-61 | Risk Codes | 22-26-34-52/53 |
Molecular Structure | Hazard Symbols | T+ | |
Synonyms |
Thiophosphorylchloride (8CI);NSC 158334;Phosphorothionic trichloride;Phosphorus sulfidetrichloride;Phosphorus sulfochloride;Phosphorus thiochloride;Phosphorusthiotrichloride;Phosphorus trichloride sulfide;Thiophosphoric acidtrichloride;Thiophosphoric trichloride;Thiophosphoryl chloride (PSCl3);Thiophosphoryl trichloride;Trichlorophosphine sulfide;Trichlorophosphorusthioxide;phosphorothioic trichloride;Fosforthiochlorid;Phosphorus thiochloride; |
Article Data | 134 |
Conditions | Yield |
---|---|
With disulfur dichloride; iron(III) chloride In neat (no solvent) addn. of a mixt. of 140 g PCl3 and 1.7 g S2Cl2 drop by drop to a hot mixt. of 160 g PSCl3, 2 g anhydrous FeCl3 and 38 g S on stirring and refluxing (4.5 h); refluxing for 1 h, distg. off PSCl3;; | 100% |
In neat (no solvent) react. molten S with PCl3 at 124-126 °C at ambient pressure; use of a catalyst formed on melting S with active carbon and boiling in PSCl3 at 200 °C;; | |
disulfur dichloride In not given react. with S2Cl2 as catalyst;; |
phosphorus pentachloride
A
trichlorothiophosphine
Conditions | Yield |
---|---|
In neat (no solvent) react. on heating under blazing up;; |
phosphorus pentachloride
A
trichlorothiophosphine
Conditions | Yield |
---|---|
In neat (no solvent) react. on heating under blazing up;; |
phosphorus pentachloride
A
trichlorothiophosphine
Conditions | Yield |
---|---|
In neat (no solvent) byproducts: thiosulfate; react. on heating;; |
thionyl chloride
A
disulfur dichloride
B
trichlorothiophosphine
C
phosphorus pentachloride
D
sulfur dioxide
E
phosphorus trichloride
Conditions | Yield |
---|---|
In neat (no solvent) excess of SOCl2; 180°C;; | |
In neat (no solvent) excess of SOCl2; 180°C;; |
sulfur dioxide
phosphorus trichloride
A
trichlorothiophosphine
B
sulfur
Conditions | Yield |
---|---|
In neat (no solvent) byproducts: POCl3; decompn. of SO2- and PCl3-vapours in a calcinating tube;; formation of POCl3, PSCl3 and a small amount of S;; | |
In neat (no solvent) byproducts: POCl3; decompn. of SO2- and PCl3-vapours in a calcinating tube;; formation of POCl3, PSCl3 and a small amount of S;; |
sulfur dioxide
phosphorus trichloride
A
trichlorothiophosphine
B
trichlorophosphate
Conditions | Yield |
---|---|
tetramethyl ammonium-pyrosulfite 50°C; | |
phosphorus tribromide 50°C; | |
phosphorus(V) oxybromide 50°C; |
disulfur dichloride
A
trichlorothiophosphine
B
trichlorophosphate
C
phosphorus trichloride
Conditions | Yield |
---|---|
With silica gel In neat (no solvent) byproducts: SiCl4; react. of Ca3(PO4)2 with S2Cl2 at 1000 °C in presence of SiO2;; after 1 h 9.5 % phosphate are caused to react.;; | |
In neat (no solvent) react. of Ca3(PO4)2 with S2Cl2 at 1000 °C;; after 1 h 19.5 % phosphate are caused to react.;; | |
In neat (no solvent) react. of Ca3(PO4)2 with S2Cl2 at 1000 °C;; after 1 h 19.5 % phosphate are caused to react.;; | |
With SiO2 In neat (no solvent) byproducts: SiCl4; react. of Ca3(PO4)2 with S2Cl2 at 1000 °C in presence of SiO2;; after 1 h 9.5 % phosphate are caused to react.;; |
disulfur dichloride
A
trichlorothiophosphine
B
sulfur
C
phosphorus trichloride
Conditions | Yield |
---|---|
In neat (no solvent) addn. of P (excess) to boiling S2Cl2;; |
Conditions | Yield |
---|---|
In neat (no solvent) addn. of P to boiling S2Cl2;; | |
In neat (no solvent) react. at boiling temp.;; | |
With Fe or Al In neat (no solvent) heating P with S2Cl2 in presence of Fe or Al;; | |
In neat (no solvent) heating P with S2Cl2;; |
The Thiophosphoryl chloride, with the CAS registry number 3982-91-0 and EINECS registry number 223-622-6, has the systematic name of phosphorothioic trichloride. It is a kind of is a fuming, colorless liquid with a pungent odor, and belongs to the product category of Inorganic Chemicals. It is soluble in benzene, carbon tetrachloride, chloroform, and carbon disulfide. And the molecular formula of this chemical is Cl3PS. What's more, it is used to prepare thiophosphorylate organic compounds, such as to produce insecticides.
The physical properties of Thiophosphoryl chloride are as following: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.994; (4)ACD/LogD (pH 7.4): 0.994; (5)ACD/BCF (pH 5.5): 3.355; (6)ACD/BCF (pH 7.4): 3.355 ; (7)#H bond acceptors: 0; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 41.9 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 30.73 cm3; (13)Molar Volume: 94.705 cm3; (14)Polarizability: 12.182×10-24cm3; (15)Surface Tension: 57.747 dyne/cm; (16)Density: 1.789 g/cm3; (17)Flash Point: °CEnthalpy of ; (18)Vaporization: 34.789 kJ/mol; (19)Boiling Point: 125 °C at 760 mmHg; (20)Vapour Pressure: 15.031 mmHg at 25°C.
Preparation of Thiophosphoryl chloride: The most common and practical synthesis of the chemcial, which is also used in industrial manufacturing, is directly reacting phosphorus trichloride with excess sulfur at 180 °C.
PCl3 + S → PSCl3
Uses of Thiophosphoryl chloride: It can hydrolyze rapidly in basic or hydroxylic solutions, such as alcohols and amines, to produce thiophosphates.
PSCl3 + 4H2O → H3PO4 + H2S + 3HCl
PSCl3 + H2O → HOP(S)Cl2 + HCl
You should be cautious while dealing with this chemical. It is harmful if swallowed, and may also cause burns. It is also harmful to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. 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; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: P(=S)(Cl)(Cl)Cl
(2)InChI: InChI=1/Cl3PS/c1-4(2,3)5
(3)InChIKey: WQYSXVGEZYESBR-UHFFFAOYAE
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LC50 | inhalation | 400mg/m3 (400mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987. |
guinea pig | LD50 | oral | 520mg/kg (520mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987. | |
mouse | LC50 | inhalation | 630mg/m3 (630mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987. | |
mouse | LD50 | oral | 700mg/kg (700mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987. | |
rat | LC50 | inhalation | 20ppm/4H (20ppm) | "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 17, 1972. | |
rat | LD50 | oral | 660mg/kg (660mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987. |