디에틸(1-시아노에틸)포스포네이트

디에틸(1-시아노에틸)포스포네이트 · NSC 135193 · Diethyl (1-cyanoethyl)phosphonate · Diethyl P-(1-cyanoethyl)phosphonate · 2-(Diethoxyphosphinyl)propanenitrile · Diethyl (1-cyanoethyl)phosphonate 97% · 1-Cyanoethylphosphonic acid diethyl ester · Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester

https://huagongshe.com/ko/chemical/282103

식별자 및 물리적 특성

CAS No.	29668-61-9
분자식	C7H14NO3P
평균 분자량	191.16 g/mol
단동위원소 질량	191.07112994 g/mol
SMILES	CCOP(=O)(OCC)C(C)C#N
InChIKey	UMLWEPGSWQNXQX-UHFFFAOYSA-N
PubChem CID	282103
EC No.	626-587-9
DTXSID	DTXSID20300175
현지명	디에틸(1-시아노에틸)포스포네이트

화학 및 물리적 성질

XLogP	0.4
극성 표면적	59.3
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	5
무거운 원자 수	12
형식 전하	0
복잡도	210
끓는 점	140-141 °C11 mm Hg(lit.)
밀도	1.085 g/mL at 25 °C(lit.)
굴절률	n20/D 1.432(lit.)
인화점	>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	WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	2927
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
포장분류	II
위험 등급	6.1(a)Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

NSC 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.