Thiophosphoryltrichlorid

Thiophosphoryl chloride

HCID 19883CAS 3982-91-0

Grundinformationen

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
19883
DTXSID
DTXSID3063253
UNII
II99F8594N
EC Number
223-622-6
Nikkaji
J96.077B

Eigenschaften

Berechnete Struktureigenschaften

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

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

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.)

Sicherheit und Regulatorisches

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.

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]

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).

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).

Sicherheitsdaten

F
21
wgk
2
tsca
TSCA listed
ridadr
UN 1837
hs_code
28273985
RTECS-Nr.
XN2930000

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.

Zugehörige Reaktionen

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