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Chlorthiophosphorsäure-0,0-diethylester

O,O-diethyl phosphorochloridothioate

HCID 17305
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Grundinformationen

CAS
2524-04-1
Standard-SMILES
CCOP(=S)(Cl)OCC
InChIKey
KMJJJTCKNZYTEY-UHFFFAOYSA-N
Summenformel
C4H10ClO2PS
Durchschnittliche Molmasse
188,61 g/mol
Monoisotopische Masse
187,98276487

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name
O,O-diethyl phosphorochloridothioate
IUPAC
chloro-diethoxy-sulfanylidene-λ5-phosphane
Lokaler Name
Chlorthiophosphorsäure-0,0-diethylester
Englischer Name
Diethyl chlorothiophosphate
Summenformel
C4H10ClO2PS
Molmasse
188.61

Namen und Synonyme

2524-04-1O,O-Diethyl chlorothiophosphateEthyl PCTDiethyl phosphorochloridothionateDiethyl phosphorochlorothioateDiethylchlorthiofosfatDiethyl phosphorochloridothioateO,O-Diethyl phosphorochloridothioatePhosphorochloridothioic acid, O,O-diethyl esterDiethyl phosphorothiochloridateDiethyl thiophosphoric chlorideDiethyl phosphorothionochloridate
Weitere Namen anzeigen
DECTPDIETHYL THIOPHOSPHORYLCHLORIDEDEPCTU.N. 2751AlkylchlorideEthyl PCT, refinedETHYL INTERMEDIARY EP-1
O,O-Diethyl chloridothionophosphateO,O-Diethyl thiophosphoryl chlorideDiethyl thiophosphoryl chlorideDiethylchlorothiophosphateO,O-Diethyl thionophosphoric chlorideO,O-Diethyl chlorothionophosphateDiethylthiophosphoric acid chlorideO,O-Diethyl phosphorochlorothioate

Datenbank-Bezeichner

CAS

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
2,7
Polarare Oberfläche (TPSA)
50,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
9
Formalladung
0
Komplexität
109

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density · 2 Einträge

1.196 AT 25 °C/25 °C

Relative density (water = 1): 1.19

Color/FormCOLORLESS TO LIGHT AMBER LIQUID
Solubility · 2 Einträge

INSOL IN WATER; SOL IN MOST ORG SOLVENTS

Solubility in water: reaction

Flash Point92 °C c.c.
Boiling Point · 2 Einträge

49 °C BELOW 1 MM HG; FP: BELOW -75 °C

>110 °C

Vapor PressureVapor pressure, Pa at 50 °C: 190
Refractive IndexINDEX OF REFRACTION: 1.4705 AT 25 °C/D
Physical DescriptionCOLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

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 · 6 Einträge

Danger

H301 (51.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Phosphorochloridothioic acid, O,O-diethyl ester

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Status: Cease Manufacture Update: 22-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11878

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
UN ClassificationUN Hazard Class: 8; UN Pack Group: II
Chemical DangersDecomposes on contact with water. This produces hydrogen chloride. Upon heating, toxic fumes are formed. Decomposes on heating. This produces toxic fumes.
Packaging and LabellingDo not transport with food and feedstuffs.
Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (51.3%)

Flammable liquids - Category 4

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

INTERMEDIATE FOR PESTICIDES; OIL & GASOLINE ADDITIVES; FLAME RETARDANTS; FLOTATION AGENTS

CHEM INT FOR PARATHION

U.S. Exports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Imports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Production · 2 Einträge

(1972) 9.1X10+8 GRAMS

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Consumption Patterns100% AS A CHEM INT FOR THE INSECTICIDE PARATHION (1975)
Methods of ManufacturingREACTION OF PHOSPHORUS PENTASULFIDE & ETHYL ALCOHOL FOLLOWED BY REACTION OF THE RESULTING DIETHYL PHOSPHORODITHIOATE WITH CHLORINE
General Manufacturing InformationPhosphorochloridothioic acid, O,O-diethyl ester: ACTIVE

Anwendungen

VerwendenDiethyl Chlorothiophosphate is used in the preparation of various organophosporus insecticide including Flupyrazofos (F598620) and Chlorpyrifos (C425300).

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

SchwefelwasserstoffKohlenmonoxidEthanolDischwefeldichlorid

Zugehörige Reaktionen

59
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 2363
HRID 2363als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 27685
HRID 27685als Eduktuspto-grants-1980_09
Reaktionsgleichung von HRID 65585
HRID 65585als Eduktuspto-grants-1978_12
Reaktionsgleichung von HRID 65588
HRID 65588als Eduktuspto-grants-1978_12
Reaktionsgleichung von HRID 99718
HRID 99718als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 207057
HRID 207057als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 211844
HRID 211844als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 263026
HRID 263026als Eduktuspto-grants-1979_05
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Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
2524-04-1
PubChem CID
17305
DTXSID
DTXSID5027487
ChEMBL
CHEMBL3184078
UNII
A310QMF5Q0
EC Number
219-755-4
Nikkaji
J34.649G
Stability/Shelf Life
STABLE AT ROOM TEMP; SLOWLY ISOMERIZES AT 100 °C

Physikochemische Eigenschaften

Schmelzpunkt
-75 ℃ · -75℃
Siedepunkt
96 °C · 96 °C
Dichte
1.2 g/mL · 1.2 g/mL at 25 °C(lit.)
Dampfdruck
1.4 mm · 1.4 mm Hg ( 50 °C)
Brechungsindex
20 · n20/D 1.472(lit.)
Flammpunkt
230 °F · >230 °F
Löslichkeit
Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand
liquid
Farbe
Colorless to Red to Green
Wasserlöslichkeit
hydrolyzes, immiscible
CAS Datenbank
2524 · 2524-04-1(CAS DataBase Reference)
NIST chemische Informationen
Phosphorochloridothioic acid, o,o'-diethyl ester(2524-04-1)
EPA chemische Informationen
O,O-Diethyl chlorothiophosphate (2524-04-1)

Sicherheit und Schutzausrüstung

Fire FightingUse water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.
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. Rest. Refer for medical attention .

Safe StorageSeparated from food and feedstuffs. Dry.
Cleanup Methods · 2 Einträge

IF SOLN OF.../ACIDS/ ARE SPILLED...1. COLLECT OR CONFINE SPILLED MATERIAL IN THE MOST CONVENIENT & SAFE MANNER. 2. IF POSSIBLE, RECLAIM THE SPILLED MATERIAL. IF THIS IS NOT POSSIBLE; 3. DILUTE &/OR NEUTRALIZE & DISPOSE OF IN A SECURED SANITARY LANDFILL. /HYDROCHLORIC ACID/

NEUTRALIZING AGENTS...: FLUSH WITH WATER; APPLY POWDERED LIMESTONE, SLAKED LIME, SODA ASH, OR SODIUM BICARBONATE. /HYDROCHLORIC ACID/

Spillage Disposal · 1 Eintrag

Personal protection: complete protective clothing including self-contained breathing apparatus. Ventilation. 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.

Eye PreventionWear safety goggles, face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames. NO contact with hot surfaces.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT GENERATION OF MISTS! IN ALL CASES CONSULT A DOCTOR!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 Einträge

Burning sensation. Cough. Shortness of breath. Sore throat. Symptoms may be delayed.

MAY BE ABSORBED! Redness. Burning sensation. Pain. Blisters. Further see Inhalation.

MAY BE ABSORBED! Redness. Pain. Blurred vision. Loss of vision. Severe deep burns.

Abdominal cramps. Burning sensation. Diarrhoea. Vomiting. Further see Inhalation.

ICSC Environmental DataThis substance may be hazardous to the environment. Special attention should be given to water quality.
Human Toxicity Excerpts...IRRITANT TO EYES & LUNGS.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2751
hs_code
29309099
RTECS-Nr.
TD1780000
risk_code
23/24/25-34-26-21/22
hazard_code
T,T+
safety_code
23-26-36/37/39-45-28A
hazard_class
8
packing_group
II
Giftige Stoffe Daten
2524-04-1(Hazardous Substances Data)
Dinatriumsulfid
Natriumsulfit
Chlor
Diphosphorpentasulfid
Natriumethanolat
Thiophosphoryltrichlorid
Natriumhydroxid
Diphosphorpentaoxid
Natriumcarbonat

Nachgelagerte Produkte

O,O-diethyl-O-(2-chloro-4-bromophenyl)thiophosphatePhoxim (ISO)Chlorpyrifos (ISO)ChintiofosParathion (ISO)Triazophos E.C.O,O-dialkyl thiophosphoryl chlorideDiazinon (ISO)ProfenofosO,O-Diethyl-O-1-phenyl-1,2,4-triazol-3-ylthio-phosphatChinalphos (ISO)Coumaphos (ISO)Diethylchlorphosphit