디에틸(1-시아노에틸)포스포네이트

Diethyl (1-cyanoethyl)phosphonate

HCID 282103CAS 29668-61-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOP(=O)(OCC)C(C)C#N
InChIKey: UMLWEPGSWQNXQX-UHFFFAOYSA-N
분자식: C7H14NO3P
평균 분자량: 191.16 g/mol
단동위원소 질량: 191.07112994

이름 및 식별자

우선 이름: Diethyl (1-cyanoethyl)phosphonate
IUPAC: 2-diethoxyphosphorylpropanenitrile
현지명: 디에틸(1-시아노에틸)포스포네이트
영어명: Diethyl (1-cyanoethyl)phosphonate
분자식: C7H14NO3P
분자량: 191.16

이름 및 동의어

Diethyl (1-cyanoethyl)phosphonateDTXSID20300175RefChem:586989DTXCID20251310626-587-929668-61-9diethyl(1-cyanoethyl)phosphonate2-diethoxyphosphorylpropanenitrileMFCD01457302NSC 135193Phosphonic acid, P-(1-cyanoethyl)-, diethyl esterDiethyl (1-cyanoethyl)phosphonate, 97%

이름 더 보기

디에틸(1-시아노에틸)포스포네이트Diethyl P-(1-cyanoethyl)phosphonate2-(Diethoxyphosphinyl)propanenitrileDiethyl (1-cyanoethyl)phosphonate 97%1-Cyanoethylphosphonic acid diethyl ester

diethyl 1-cyanoethylphosphonateNSC135193Phosphonic acid, (1-cyanoethyl)-, diethyl esterSCHEMBL1249302-(diethylphosphono)propionitrile2-diethoxyphosphoryl-propionitrilediethyl(1-cyanoethyl)-phosphonateUMLWEPGSWQNXQX-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 29668-61-9
PubChem CID: 282103
DTXSID: DTXSID20300175
EC Number: 626-587-9
Nikkaji: J410.642C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 59.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 210

물리화학적 성질

끓는 점: 140 · 140-141 °C11 mm Hg(lit.)
밀도: 1.085 g/mL · 1.085 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.432(lit.)
인화점: 230 °F · >230 °F
물리적 상태: liquid
InChI: 1S/C7H14NO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h7H,4-5H2,1-3H3
InChIKey: UMLWEPGSWQNXQX-UHFFFAOYSA-N
SMILES: CCOP(=O)(OCC)C(C)C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: 2927
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: II
위험 등급: 6.1(a)
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도NSC 135193 is an intermediate in the synthesis of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (C979545), a component of the crude extract resulting from studies on the antifungal activity of Citrullus colocynthis against various plant pathogenic fungi.Oligomeric product in thermal polymerization of acrylonitrile/styrene system.