クロロチオりん酸ジエチル

O,O-diethyl phosphorochloridothioate

HCID 17305CAS 2524-04-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOP(=S)(Cl)OCC
InChIKey: KMJJJTCKNZYTEY-UHFFFAOYSA-N
分子式: C4H10ClO2PS
平均分子量: 188.61 g/mol
単同位体質量: 187.98276487

概要

structure given in first source

名称と識別子

優先名称: O,O-diethyl phosphorochloridothioate
IUPAC: chloro-diethoxy-sulfanylidene-λ5-phosphane
現地名: クロロチオりん酸ジエチル
英語名: Diethyl chlorothiophosphate
分子式: C4H10ClO2PS
分子量: 188.61

名称と別名

2524-04-1O,O-Diethyl chlorothiophosphateEthyl PCTDiethyl phosphorochloridothionateDiethyl phosphorochlorothioateDiethylchlorthiofosfatDiethyl phosphorochloridothioateO,O-Diethyl phosphorochloridothioatePhosphorochloridothioic acid, O,O-diethyl esterDiethyl phosphorothiochloridateDiethyl thiophosphoric chlorideDiethyl phosphorothionochloridate

名称をさらに表示

クロロチオりん酸ジエチルジエチルホスホロクロリドチオネートクロロホスホノチオ酸O,O-ジエチルO,O'-ジエチルチオホスホリルクロリドクロリドチオりん酸ジエチルクロロチオホスホン酸O,O-ジエチルクロリドチオりん酸O,O-ジエチルジエチルチオホスホリルクロリドクロロチオりん酸ジエチルジエチルチオリン酸クロライドホスホロクロリドチオ酢酸 O,O'-ジエチルホスホロチオクロリダート O,O'-ジエチルO，O-ジエチルホスホロクロリドチオアート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

データベース識別子

CAS: 2524-04-1
PubChem CID: 17305
DTXSID: DTXSID5027487
ChEMBL: CHEMBL3184078
UNII: A310QMF5Q0
EC Number: 219-755-4
Nikkaji: J34.649G

物性

構造計算による物性

XLogP: 2.7
極性表面積: 50.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 9
形式電荷: 0
複雑度: 109

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Density · 2 件

1.196 AT 25 °C/25 °C

Relative density (water = 1): 1.19

Color/FormCOLORLESS TO LIGHT AMBER LIQUID

Solubility · 2 件

INSOL IN WATER; SOL IN MOST ORG SOLVENTS

Solubility in water: reaction

Flash Point92 °C c.c.

Boiling Point · 2 件

49 °C BELOW 1 MM HG; FP: BELOW -75 °C

>110 °C

物理化学的性質

融点: -75 ℃ · -75℃
沸点: 96 °C · 96 °C
比重(密度): 1.2 g/mL · 1.2 g/mL at 25 °C(lit.)
蒸気圧: 1.4 mm · 1.4 mm Hg ( 50 °C)
屈折率: 20 · n20/D 1.472(lit.)
闪点: 230 °F · >230 °F
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly)
外見: 液体
色: Colorless to Red to Green
水溶解度: 加水分解する、混和しない
CAS データベース: 2524 · 2524-04-1(CAS DataBase Reference)
NISTの化学物質情報: Phosphorochloridothioic acid, o,o'-diethyl ester(2524-04-1)
EPAの化学物質情報: O,O-Diethyl chlorothiophosphate (2524-04-1)

化学的性質

化学的特性CLEAR COLORLESS TO LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 3 件

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 件

Acute Tox. 3 (51.3%)

Flammable liquids - Category 4

安全と保護具

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 件

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 件

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 件

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.

毒性情報

Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.

Signs and Symptoms · 4 件

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.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: TD1780000
ridadr: UN 2751
hs_code: 29309099
risk_code: 23/24/25-34-26-21/22
消防法: 危-4-3-III
hazard_code: T,T+
safety_code: 23-26-36/37/39-45-28A
hazard_class: 8
packing_group: II
有毒物質データの: 2524-04-1(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

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

CHEM INT FOR PARATHION

U.S. Exports · 2 件

(1972) No Data

(1975) No Data

U.S. Imports · 2 件

(1972) No Data

(1975) No Data

U.S. Production · 2 件

(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

応用分野 · 3 件

用途殺虫剤の中間体、オイルとガソリン添加剤、難燃剤、浮選剤

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

一般的な説明A colorless to light amber liquid with a disagreeable odor. Density 1.196 g / cm3. Boiling point 120°F.Flash point below 100°F. Insoluble in water but soluble in most organic solvents. May be highly toxic and irritating to the eyes and lungs. Used as an intermediate for pesticides, as an oil and gasoline additive, and as a flame retardant.

上流・下流製品情報

上流原料

ジヒドリド硫黄一酸化炭素エタノールジクロロペルスルフィド硫化ナトリウム亜硫酸ナトリウム塩素五硫化リンナトリウムエトキシドチオホスホリルクロリド水酸化ナトリウム酸化りん(V)

下流製品

O，O-diethyl-O-(2-chloro-4-bromophenyl)thiophosphate ホキシムクロルピリホスフェニルチオホスホン酸O-エチルO-(8-キノリル)チオりん酸ジエチル4-ニトロフェニル Triazophos E.C.O，O-dialkyl thiophosphoryl chloride ジムピラートチオりん酸O-(4-ブロモ-2-クロロフェニル)O-エチルS-プロピルチオりん酸O,O-ジエチルO-(1-フェニル-1H-1,2,4-トリアゾール-3-イル)Ｏ，Ｏ－ジエチル－Ｏ－キノキサリン－２－イルホスホロチオアートクマホス