클로로인산디에틸에스테르

Diethyl chlorophosphate

HCID 13139CAS 814-49-3

기본 정보

표준 SMILES
CCOP(=O)(Cl)OCC
InChIKey
LGTLXDJOAJDFLR-UHFFFAOYSA-N
분자식
C4H10ClO3P
평균 분자량
172.55 g/mol
단동위원소 질량
172.00560849

개요

Diethyl chlorophosphate is a clear liquid. This material is used as an intermediate in organic synthesis. (EPA, 1998)

이름 및 식별자

우선 이름
Diethyl chlorophosphate
IUPAC
1-[chloro(ethoxy)phosphoryl]oxyethane
현지명
클로로인산디에틸에스테르
영어명
Diethyl chlorophosphate
분자식
C4H10ClO3P
분자량
172.55

이름 및 동의어

DIETHYL CHLOROPHOSPHATE814-49-3Diethyl phosphorochloridateDiethyl chlorophosphonateDiethoxyphosphoryl chlorideDiethyl phosphorochlorideO,O-Diethyl chlorophosphateDiethoxyphosphorus oxychlorideO,O-Diethyl chloridophosphateDiethylchlorfosfatDIETHYLCHLOROPHOSPHATEPhosphorochloridic acid, diethyl ester
이름 더 보기
디에틸에스테르클로로인산클로로인산디에틸에스테르디에틸에스테르클로로인산다이에틸 클로로포스페이트O,O-다이에틸 클로로포스페이트다이에톡시포스포러스 옥시클로라이드다이에틸 클로로포스포네이트디에틸에스테르 클로로인산에틸 포스포로클로리데이트염화 다이에톡시포스포릴인산 염화물 다이에틸 에스터클로로다이에톡시포스핀 산화물클로로다이에틸포스페이트포스포로클로리드산, 다이에틸 에스터ChlorodiethylphosphateCHLOROPHOSPHORIC ACID DIETHYL ESTERai3-18557[qr]AURORA KA-1634Diethyl chlorophosphe
O,O-Diethyl chlorophosphonateDiethylphosphoric acid chlorideO,O-Diethylphosphoryl chlorideO,O-Diethyl phosphorochloridate1-[chloro(ethoxy)phosphoryl]oxyethaneChlorophosphoric acid, diethyl esterEthyl phosphorochloridate (EtO)2ClPOEthyl phosphorochloridate (Cl(EtO)2PO)

데이터베이스 식별자

CAS
814-49-3
PubChem CID
13139
DTXSID
DTXSID4052556
ChEMBL
CHEMBL4083009
UNII
F1NZC04LRU
EC Number
212-396-4
Nikkaji
J50.408D

물성

구조 계산 물성

XLogP
1
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organophosphates, Other
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density · 3건

1.1915 at 77 °F (EPA, 1998) - Denser than water; will sink

1.1915 @ 25 °C

1.21 @ 20°C

Color/FormWater-white liquid
SolubilitySol in alcohols
Boiling Point · 2건

140 °F at 2 mmHg (EPA, 1998)

60 °C @ 2 mm Hg

물리화학적 성질

녹는점
95 · 95-96 °C
끓는 점
60 °C2 · 60 °C2 mm Hg(lit.)
밀도
1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
증기 밀도
5.94 · 5.94 (vs air)
증기압
0.1 mm · 0.1 mm Hg ( 25 °C)
굴절률
20 · n20/D 1.416(lit.)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300+H310+H330 (74.5%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Status: Active Update: 21-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23013

Phosphorochloridic acid, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

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.)

DOT LabelPoison
Fire HazardsEmits very toxic fumes of chloride and phosphorus oxides when heated to decomposition. (EPA, 1998)
Fire PotentialCombustible
Health HazardsThis material is a cholinesterase inhibitor. It has high oral and very high dermal toxicity. It is a skin irritant. It is also toxic by inhalation. (EPA, 1998)
Hazards Summary · 1건

A cholinesterase inhibitor; [Hawley] A cholinesterase inhibitor and skin irritant; Highly toxic by ingestion and skin absorption; [CAMEO] A mild skin irritant; Somnolence and convulsions observed in lethal-dose feeding studies of mice; [RTECS]

안전 및 보호

Fire Fighting · 1건

Use the following procedures for combustible liquids. Move container from fire area if you can do it without risk. Cool containers that are exposed to flames with water from the side until well after fire is out. For massive fire in cargo area, use unmanned hose holder or monitor nozzles; if this is impossible, withdraw from area and let fire burn. Withdraw immediately in case of rising sound from venting safety device or any discoloration of tank due to fire. Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Wear self-contained (positive pressure if available) breathing apparatus and full protective clothing. Isolate for 1/2 mile in all directions if tank car or truck is involved in fire.

First AidNote: Diethyl chlorophosphate is a cholinesterase inhibitor.
Nonfire Spill ResponseCaution : Avoid sources of extreme heat including fire. Diethyl chlorophosphate will liberate toxic phosphorus oxide fumes and hydrogen chloride gas when heated to decomposition.
Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Protective Action Criteria (PAC) · 3건

0.73 [mg/m3]

8.0 [mg/m3]

11 [mg/m3]

독성 정보

Adverse EffectsOther Poison - Organophosphate

규제 정보

CERCLA Reportable Quantities · 1건

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Diethyl chlorophosphate is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 lbs.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
TD1400000
ridadr
UN 2927 6.1/PG 1
HS 번호
29199000
risk_code
23-27/28-33-26/27/28-34

화학 및 산업

약리 정보

Mechanism of ActionCholinesterase inhibitor
Absorption, Distribution and ExcretionSkin absorption.

용도 및 제조

Uses · 2건

Used as intermediate in organic synthesis; [Hawley]

Intermediate in organic synthesis

Impurities95% minimum purity grade
Formulations/PreparationsGrade: Technical
General Manufacturing Information · 2건

Phosphorochloridic acid, diethyl ester: ACTIVE

Available in 55 gallon drums

응용 분야

용도A phosphorous halide used for biochemical research. Also used as an intermediate in organic synthesis.

일반 설명Clear liquid. Diethyl chlorophosphate is used as an intermediate in organic synthesis.

관련 반응

531건

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