시아노인산디에틸에스테르

Diethyl cyanophosphonate

HCID 76257CAS 2942-58-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOP(=O)(C#N)OCC
InChIKey
ZWWWLCMDTZFSOO-UHFFFAOYSA-N
분자식
C5H10NO3P
평균 분자량
163.11 g/mol
단동위원소 질량
163.03982981

개요

reagent for solid phase peptide synthesis; structure

이름 및 식별자

우선 이름
Diethyl cyanophosphonate
IUPAC
diethoxyphosphorylformonitrile
현지명
시아노인산디에틸에스테르
영어명
Diethyl cyanophosphonate
분자식
C5H10NO3P
분자량
163.11

이름 및 동의어

Diethyl cyanophosphonate2942-58-7Diethyl phosphorocyanidatePhosphorocyanidic acid, diethyl esterDiethylphosphorocyanidateDiethylcyanophosphonatePAD4WPZ7T0diethoxyphosphoryl cyanideDTXSID90183639DCNP cpdRefChem:587426DTXCID80106130
이름 더 보기
시아노인산디에틸에스테르다이에틸 사이아노포스포네이트DEPCDIETHYLPHOSPHORYL CYANIDE(ETO)2P(O)CNDiethypyrocarbonateDiethyl cyanophospho
220-936-5diethoxyphosphorylformonitrileDiethylcyanophosphateCyanophosphonic Acid Diethyl EsterDiethyl cyanidophosphatediethyl cyanophosphateDiethoxy-phosphoryl cyanideDiethyl cyanophosphosphonate

데이터베이스 식별자

CAS
2942-58-7
PubChem CID
76257
DTXSID
DTXSID90183639
UNII
PAD4WPZ7T0
EC Number
220-936-5
Nikkaji
J50.413K

물성

구조 계산 물성

XLogP
0.3
극성 표면적
59.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionYellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점
104 · 104-105 °C19 mm Hg(lit.)
밀도
1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.403(lit.)
인화점
177 °F · 177 °F
저장 조건
2 · 2-8°C
용해도
아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
화학적 성질 · 1건

Diethyl cyanophosphonate is a clear colourless to yellow liquid. It soluble in most common organic solvents , such as dimethylformamide , tetrahydrofuran , diethyl ether , and toluene. Diethyl cyanophosphonate is highly toxic and corrosive. lt must be handled in awell-ventilated fume hood. In addition, it is moisture sensitive and should bestored in a refrigerator under nitrogen.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300+H310+H330 (75%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards Summary · 1건

Intraperitoneal LD50 (mouse) = 1.4 mg/kg; [RTECS] Hydrolyzed by water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Tabun.

Hazard Classes and CategoriesAcute Tox. 2 (98.1%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
rtecs
TD2500000
ridadr
UN 2922 8/PG 2
HS 번호
29319090
risk_code
34-32-26/27/28
hazard_code
C,Xi,T+

화학 및 산업

용도 및 제조

UsesReagent for solid phase peptide synthesis. [ChemIDplus]
응용 분야 · 2건

용도Diethyl cyanophosphonate was used in the synthesis of 4-acylthiol-4-deoxy-4′-demethyl epipodophyllotoxin analogs. Coupling reagent for peptide synthesis. Reagent for the phosphorylation of phenols. Activating agent for fluorescent derivatization of carboxylic acids which allows separation by HPLC.

일반 설명Diethyl cyanophosphonate (DCNP, a Tabun mimic, DECP) is a nerve agent simulant. Its detection by using fluorescein, a reversible fluorescent sensor, has been reported. Its degradation in the presence of suitable organocatalysts (different amines, aminoalcohols and glycols) has been studied.

상·하류 제품 정보

공급사50 곳

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
LIDE PHARMACEUTICALS LIMITED+852-55945652 · [email protected]

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