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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 106
실험 및 물리화학적 성질
Density
1.1915 at 77 °F (EPA, 1998) - Denser than water; will sink
1.1915 @ 25 °C
1.21 @ 20°C
Boiling Point
140 °F at 2 mmHg (EPA, 1998)
60 °C @ 2 mm Hg
Vapor Density
5.94 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
5.94
Physical Description
Diethyl chlorophosphate is a clear liquid. This material is used as an intermediate in organic synthesis. (EPA, 1998)
Water-white liquid; [Hawley] Clear slightly brown liquid; [MSDSonline]
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.)
- 인화점
- 142 °F · 142 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(소량으로 용해)
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- 수용성
- 알코올과 클로로포름에 용해됩니다. 물에 약간 용해됩니다.
- BRN
- 471433 · 471433
- 안정성
- 흡습성, 수분 민감성
- InChI
- 1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
- InChIKey
- LGTLXDJOAJDFLR-UHFFFAOYSA-N
- SMILES
- CCOP(Cl)(=O)OCC
- LogP
- 0.61 · 0.61
- NIST
- Phosphorochloridic acid, diethyl ester(814-49-3)
- EPA
- Diethyl chlorophosphate (814-49-3)
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
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
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.)
Hazards Summary
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]
Reactivity Profile
Organophosphates, such as DIETHYL CHLOROPHOSPHATE, are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
CERCLA Reportable Quantities
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 및 보호
Fire Fighting
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.
Disposal Methods
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.
Protective Action Criteria (PAC)
0.73 [mg/m3]
8.0 [mg/m3]
11 [mg/m3]
Personal Protective Equipment (PPE)
For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
독성 정보
규제 정보
CERCLA Reportable Quantities
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
- hazard_code
- T+
- safety_code
- 26-36/37/39-45-38-28A-7/9-28
- 포장분류
- II
- 위험 등급
- 6.1(a)
- 기존화학 물질
- KE-05-0482
- F 고인화성물질
- 10-19-21
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 OralAcute Tox. 3 Inhalation
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- 유해 물질 데이터
- 814-49-3(Hazardous Substances Data)
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 디에틸에스테르 클로로인산 및 이를 1% 이상 함유한 혼합물
- 유해화학물질 필터링
- 99-1-504
화학 및 산업
약리 정보
용도 및 제조
Uses
Used as intermediate in organic synthesis; [Hawley]
Intermediate in organic synthesis
General Manufacturing Information
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.
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