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Thiophosphoryltrichlorid

Thiophosphoryl chloride

HCID 19883
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Grundinformationen

CAS
3982-91-0
Standard-SMILES
S=P(Cl)(Cl)Cl
InChIKey
WQYSXVGEZYESBR-UHFFFAOYSA-N
Summenformel
Cl3PS
Durchschnittliche Molmasse
169,4 g/mol
Monoisotopische Masse
167,85239067

Überblick

Thiophosphoryl chloride appears as a colorless fuming liquid. Boiling point 257 °F (125 °C). Irritates the eyes and mucous membranes. Corrosive to metals and tissue.

Namen und Bezeichner

Bevorzugter Name
Thiophosphoryl chloride
IUPAC
trichloro(sulfanylidene)-λ5-phosphane
Lokaler Name
Thiophosphoryltrichlorid
Englischer Name
Thiophosphoryl chloride
Summenformel
Cl3PS
Molmasse
169.4

Namen und Synonyme

THIOPHOSPHORYL CHLORIDE3982-91-0Phosphorus thiochloridePhosphorus sulfochloridePhosphorothioic trichlorideThiophosphoryl trichloridePhosphorothionic trichloridePhosphorous thiochloridePhosphorous sulfochlorideThiophosphoric trichlorideTrichlorophosphine sulfideFosforthiochlorid
Weitere Namen anzeigen
Phosphorothioyl trichloridethiophosphoryltl262NSC 158334AURORA KA-1089Thiophosphoryl chlorthiochloridfosforecnyThiophosphorylchlorid
Phosphorus trichloride sulfideThiophosphoryl chloride (PSCl3)Phosphorus chloride sulfideThiochlorid fosforecnyTL 262UN1837Phosphorous trichloride sulfideSulfidotrichlorid fosforecny

Datenbank-Bezeichner

CAS
3982-91-0
PubChem CID

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
3,5
Polarare Oberfläche (TPSA)
32,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
5
Formalladung
0
Komplexität
53

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Other Toxic Gases & Vapors

Corrosives

SpringerMaterials PropertiesSchoenflies notation
Odor · 2 Einträge

PUNGENT

Penetrating

Density · 3 Einträge

1.635

Relative density (water = 1): 1.6

1.635 @25 °C

Color/Form · 2 Einträge

Colorless liquid

CRYSTALLIZES AS ALPHA-FORM @ -40.8 °C OR AS BETA-FORM @ -36.2 °C

Solubility · 2 Einträge

SOL IN BENZENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, CHLOROFORM

Solubility in water: reaction

Boiling Point · 3 Einträge

125 °C @ 760 MM HG

125 °C

125 °C @760 [mm Hg]

Decomposition · 2 Einträge

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Thiophosphoryl chloride

Phosphorothioic trichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorothioic trichloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6323

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Thiophosphoryl chloride: Human health tier I assessment
DOT LabelCorrosive
Fire Hazards · 3 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Not combustible but forms flammable gas on contact with water or damp air. Risk of fire and explosion on contact with water or moisture.

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used to make insecticides (e.g., parathion); [HSDB]

Phosphorus sulfochloride is primarly used in the manufacture of insecticides eg, parathion.

U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
Methods of ManufacturingPREPARED FROM PHOSPHORUS PENTASULFIDE & PHOSPHORIC CHLORIDE. ALTERNATE PROCEDURE FROM PHOSPHORUS TRICHLORIDE, ALUMINUM CHLORIDE, AND SULFUR.
General Manufacturing Information · 3 Einträge

Agriculture, Forestry, Fishing and Hunting

Phosphorothioic trichloride: ACTIVE

DURING THE PREPN FROM PHOSPHORUS TRICHLORIDE AND SULFUR, THE QUANTITY AND QUALITY OF THE ALUMINUM CHLORIDE CATALYST IS CRITICAL TO PREVENT THE EXOTHERMIC REACTION GOING OUT OF CONTROL.

Anwendungen

VerwendenThiophosphoryl chloride was used in the synthesis of O-ethyl dichlorothiophosphate.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

SchwefelDiphosphorpentasulfidPentachlorphosphoranPhosphorige Säure-trichloridSulphurTetraphosphor

Zugehörige Reaktionen

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Reaktionsgleichung von HRID 2362
HRID 2362als Eduktuspto-grants-1998_03
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HRID 2365als Eduktuspto-grants-1998_03
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HRID 2366als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 224679
HRID 224679als Eduktuspto-grants-1980_11
Reaktionsgleichung von HRID 275229
HRID 275229als Eduktuspto-grants-1995_02
Reaktionsgleichung von HRID 275232
HRID 275232als Eduktuspto-grants-1995_02
Reaktionsgleichung von HRID 275233
HRID 275233als Eduktuspto-grants-1995_02
Reaktionsgleichung von HRID 275234
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Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
19883
DTXSID
DTXSID3063253
UNII
II99F8594N
EC Number
223-622-6
Nikkaji
J96.077B

Decomposed by water producing hydrochloric and phosphoric acids ... and hydrogen sulfide ... .

Dangerous; when heated to decomp ... emits highly toxic fumes of /phosphorus oxides, sulfur oxides and hydrogen chloride/.

Melting Point · 2 Einträge

-35 °C

-35 °C

Vapor Density · 2 Einträge

5.86 (AIR= 1)

Relative vapor density (air = 1): 5.8

Vapor Pressure · 3 Einträge

16.35 [mmHg]

vapor pressure = 16.35 mm Hg at 25 °C/ calculated from experimentally derived coefficients/

Vapor pressure, kPa at 25 °C: 2.9

Refractive Index · 2 Einträge

INDEX OF REFRACTION: 1.635 @ 25 °C/D

INDEX OF REFRACTION: 1.563 (COLD)

Physikochemische Eigenschaften

Schmelzpunkt
-35 °C · -35 °C (lit.)
Siedepunkt
125 °C · 125 °C (lit.)
Dichte
1.668 g/mL · 1.668 g/mL at 25 °C (lit.)
Dampfdruck
21.9 hPa · 21.9hPa at 25℃
Brechungsindex
20 · n20/D 1.555(lit.)
Löslichkeit
benzene: soluble(lit.)
Aggregatzustand
liquid
Farbe
colorless
Wichte
1.668 · 1.668
Wasserlöslichkeit
2 O, · hydrolyzes in H2O, forming H3PO4, HCl, H2S; hydrolyzes rapidly in alkaline solutions; soluble benzene, CCl4, CS2, chloroform [MER06]
Merck
14 · 14,7356
Dielectric constant
2.5 · 2.5(25℃)
Stabilität
Moisture Sensitive
CAS Datenbank
3982 · 3982-91-0(CAS DataBase Reference)
EPA chemische Informationen
Phosphorothioic trichloride (3982-91-0)
Health Hazards · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards Summary · 1 Eintrag

Hydrolyzed by water forming orthophosphoric acid, hydrochloric acid, and hydrogen sulfide; A strong irritant; [Merck Index] Decomposed by heating and water or humidity forming toxic and corrosive vapors (including phosphoric acid, hydrogen chloride, and hydrogen sulfide) posing fire and explosion hazard; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; [ICSC] An eye and mucous membrane irritant; [HSDB] Decomposed by water producing phosphoric acid and hydrochloric acid; May also form hydrogen sulfide on reaction with water; Fumes in air; An eye and mucous membrane irritant; Corrosive to tissue; [CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; Can be absorbed through skin; [MSDSonline]

DOT ID and Guide1837 157
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
UN ClassificationUN Hazard Class: 8; UN Pack Group: II
Special ReportsWHO; Diseases Caused by Phosphorus and Its Toxic Compounds; Early Detection of Occupational Diseases pg 53-62 (1986). Review of diseases and health related effects resulting from exposure to phosphorus or phosphorus cmpd.
Reactivity AlertsWater-Reactive
Reactivity Profile · 1 Eintrag

THIOPHOSPHORYL CHLORIDE is acidic. Incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

Use powder, carbon dioxide. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water. Combat fire from a sheltered position.

First Aid Measures · 4 Einträge

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

General First Aid:

Safe StorageFireproof. Provision to contain effluent from fire extinguishing. Cool. Dry.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 1 Eintrag

If material /is/ involved in /a/ fire extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.

Nonfire Spill ResponseExcerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Spillage Disposal · 1 Eintrag

Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Do NOT let this chemical enter the environment. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. NEVER direct water jet on liquid.

Preventive Measures · 3 Einträge

If material /is/ not involved in /a/ fire keep material out of water sources and sewers. Build dikes to contain flow as necessary. Use water spray to knock- down vapors. Do not use water on material itself. Neutralize spilled material with crushed limestone, soda ash, or lime.

Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

Immediate precautionary measure

Eye PreventionWear safety goggles, face shield or eye protection in combination with breathing protection.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: If released on land thiophosphoryl chloride will be lost by volatilization and hydrolysis. No estimates of half-lives of these processes are available. (SRC)

AQUATIC FATE: If released in water, thiophosphoryl chloride will be lost by hydrolysis; the rate of hydrolysis is unknown. It may also be lost by volatilization; however, lack of physical chemical constants does not permit an estimation of the rate of volatilization. (SRC)

ATMOSPHERIC FATE: Because of its high vapor pressure, thiophosphoryl chloride may accumulate in the atmosphere. Its rate of reaction with atmospheric constituents is unknown. (SRC)

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Signs and Symptoms · 4 Einträge

Burning sensation. Cough. Headache. Laboured breathing. Shortness of breath. Sore throat. Unconsciousness. Vomiting. Wheezing. Symptoms may be delayed.

Redness. Skin burns. Pain. Blisters.

Redness. Pain. Loss of vision. Severe deep burns.

Abdominal pain. Burning sensation. Nausea. Shock or collapse. Further see Inhalation.

ICSC Environmental DataThis substance may be hazardous to the environment. Special attention should be given to water quality.
Volatilization from Water/Soil · 1 Eintrag

Thiophosphoryl chloride has a relatively high vapor pressure, 16.35 mm Hg at 25 °C(1) and it should volatilize rapidly from soil. No experimental Henry's Law constant is available and the value cannot be estimated from structural considerations because of lack of structural fragments nor calculated from the vapor pressure and water solubility because of the lack of an experimental water solubility(SRC).

Environmental Abiotic Degradation · 1 Eintrag

Thiophosphoryl chloride is a fuming liquid that hydrolyzes slowly in water and rapidly in base to form orthophosphoric acid, hydrochloric acid and hydrogen sulfide(1). No rates of hydrolysis were located. In the atmosphere thiophosphoryl chloride will react with photochemically produced hydroxyl radicals at a estimated rate of 5.5X10-11 cu cm/molecule sec(2). Assuming a hydroxyl radical concn of 5X10+5/cu cm, the half life of thiophosphoryl chloride would be 0.3 days(SRC).

Probable Routes of Human Exposure · 3 Einträge

The probable route of exposure to thiophosphoryl chloride is by inhalation. (SRC)

NIOSH (NOES Survey 1981-1983) has statistically estimated that 1944 workers are exposed to thiophosphoryl chloride in the USA(1).

Occupational exposure involves acetyl cellulose makers, bronze alloy makers, munitions workers, smoke bomb and incendiary makers, pesticide rat poison worker, fertilizer makers, electroluminescent-coating makers, and semiconductor workers. /Phosphorus/

Environmental Fate/Exposure Summary · 1 Eintrag

Thiophosphoryl chloride may be released to the environment during its manufacture and use. It is a volatile chemical and would therefore tend to volatilize from water and soil and partition in the atmosphere. Its atmospheric half-life is estimated to be 0.3 days as a result of its reaction with photochemically produced hydroxyl radicals. Although no rate data are available, it is expected to hydrolyze slowly in water and moist soil. The rate of hydrolysis will increase with increasing pH. Exposure would be occupational. (SRC)

Toxicity DataLC50 (rat) = 20 ppm/4h

Sicherheitsdaten

F
21
wgk
2
tsca
TSCA listed
ridadr
UN 1837
hs_code
28273985
RTECS-Nr.
XN2930000
risk_code
22-26-34-52/53
hazard_code
T+
safety_code
26-28-36/37/39-45-61
hazard_class
8
packing_group
II
Giftige Stoffe Daten
3982-91-0(Hazardous Substances Data)
Phosphor

Nachgelagerte Produkte

O,O-Dimethyl(chlor)thiophosphatPhosphorus-containing intermediates of asymmetric organophosphorus pesticidesPhoxim (ISO)Isopropyl-2-[(aminomethoxyphosphinothioyl)oxy]benzoatPyridaphentionFonofos (ISO)Fosthiazate(O,O-di-4-chlorophenyl)thiophosphenyl chlorideParathion-methyl (ISO)Methamidophos (ISO)PyraclofosPropyldichlorodithiophosphatO, O-dialkyl sulphide (alcohol) phosphateSalithionPhosacetim (ISO)O-MethyldichlorothiophosphatSulprofosDimethylthiophosphinchloridFenitrothion (ISO)Isofenphos (ISO)DEMETONO,O-dialkyl thiophosphoryl chlorideEPNPropetamphosChlorthiophosphorsäure-0,0-diethylesterFurfurylalkoholIsocarbophos E.C.O,O-Di(4-bromophenyl)thiophosphoryl chlorideProfenofosChinalphos (ISO)O-Ethyldichlorothiophosphat