Diethyl (cyanomethyl)phosphonate

HCID 75676CAS 2537-48-6

기본 정보

표준 SMILES: CCOP(=O)(CC#N)OCC
InChIKey: KWMBADTWRIGGGG-UHFFFAOYSA-N
분자식: C6H12NO3P
평균 분자량: 177.14 g/mol
단동위원소 질량: 177.05547987

이름 및 식별자

우선 이름: Diethyl (cyanomethyl)phosphonate
IUPAC: 2-diethoxyphosphorylacetonitrile
영어명: Diethyl cyanomethylphosphonate
분자식: C6H12NO3P
분자량: 177.14

이름 및 동의어

Diethyl cyanomethylphosphonate2537-48-6Diethyl (cyanomethyl)phosphonatePhosphonic acid, (cyanomethyl)-, diethyl esterEINECS 219-806-0DTXSID20180015NSC 407826RefChem:587029DTXCID30102506219-806-0InChI=1/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H2-diethoxyphosphorylacetonitrile

이름 더 보기

cyanomethyLDEPANDiethyl cyanomethylpLABOTEST-BB LT00233137Diethyl cyanomethylphosphote

(Diethylphosphono)acetonitrileDiethyl cyanomethanephosphonateCyanomethylphosphonic acid diethyl esterdiethylcyanomethylphosphonateC6H12NO3PDiethyl cyanomethyl phosphonateDiethylphosphonoacetonitrileMFCD00001893

데이터베이스 식별자

CAS: 2537-48-6
PubChem CID: 75676
DTXSID: DTXSID20180015
UNII: 5S99GCU3PT
EC Number: 219-806-0
Nikkaji: J149.878I

물성

구조 계산 물성

XLogP: 0
극성 표면적: 59.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 185

물리화학적 성질

끓는 점: 101 · 101-102 °C0.4 mm Hg(lit.)
밀도: 1.095 g/mL · 1.095 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.434(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름, 메탄올(약간)에 용해됨
물리적 상태: 액체
색상: 무색투명~연황색
Specific Gravity: 1.1261 · 1.1261.095
수용성: 물, 클로로포름, 테라히드로푸란, 에틸 아세테이트 및 염화메틸렌과 혼합 가능합니다.
BRN: 1772981 · 1772981
InChI: InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3
InChIKey: KWMBADTWRIGGGG-UHFFFAOYSA-N
SMILES: P(CC#N)(=O)(OCC)OCC
NIST: Diethyl cyanomethylphosphonate(2537-48-6)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (32.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationDiethyl cyanomethylphosphonate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (32.8%)

안전 데이터

wgk: 3
ridadr: UN 1760 8/PG 2
HS 번호: 29310095
risk_code: 38-36/37/38-20/21/22-34-36/38
hazard_code: Xi,Xn,C
safety_code: 26-28-36/37/39-23-45-27-36/37-9
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Wittig reagent.

상·하류 제품 정보

상류 원료

클로로아세토니트릴 트리에틸 아인산염

하류 제품

2-(2,3-DIHYDRO-1BENZENESULFONYL-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHANAMINE 2-Aminoquinoline 1-벤조푸란-3-일라세토니트릴 4-FLUOROCINNAMONITRILE 2-(2,3-DIHYDRO-1-BENZENESULFONYL-PYRROLO[2,3-B]PYRIDIN-3-YL)ACETONITRILE 3-(cyanomethylene)cyclobutane-1-carbonitrile (Z)-3-(1H-인돌-3-일)아크릴로니트릴 Phosphonic acid, (1-cyano-3-hydroxypropyl)-, diethyl ester (9CI)2-(1-벤질피페리딘-4-일리덴)아세토니트릴 3-사이클로펜틸아크릴로니트릴

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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