3,3-디메톡시프로피오니트릴

3,3-Dimethoxypropiononitrile

HCID 93731

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 57597-62-3
표준 SMILES: COC(CC#N)OC
InChIKey: JYHSJQNYYLGMEI-UHFFFAOYSA-N
분자식: C5H9NO2
평균 분자량: 115.13 g/mol
단동위원소 질량: 115.06332853

이름 및 식별자

우선 이름: 3,3-Dimethoxypropiononitrile
IUPAC: 3,3-dimethoxypropanenitrile
현지명: 3,3-디메톡시프로피오니트릴
영어명: 3,3-Dimethoxypropanenitrile
분자식: C5H9NO2
분자량: 115.13

이름 및 동의어

3,3-DimethoxypropionitrilePropanenitrile, 3,3-dimethoxy-3,3-DimethoxypropiononitrileEINECS 260-842-1DTXSID20206224RefChem:485410DTXCID20128715260-842-13,3-Dimethoxypropanenitrile57597-62-3MFCD000447973,3-Dimethoxy-propanenitrile

이름 더 보기

3,3-디메톡시프로피오니트릴프로판니트릴,3,3-디메톡시-3,3-다이메톡시프로피오나이트릴DMPNDimethoxypropanenitrile1-CYANO-2,2-DIMETHOXYETHANED**3,3-DIMETHOXYPROPIONITRILE3,3-Dimethoxypropionitrile>3 3-DIMETHOXYPROPIONITRILE 96%

3,3-dimethoxy-propionitrile3,3-dimethoxy propionitrileCyanoacetaldehyde Dimethyl AcetalM3V5GU3YNNSCHEMBL2561963,3-Dimethoxypropanenitrile #SBB068429AKOS007930748

데이터베이스 식별자

CAS: 57597-62-3
PubChem CID: 93731
DTXSID: DTXSID20206224
UNII: M3V5GU3YNN
EC Number: 260-842-1
Nikkaji: J134.972D

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 42.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 89.8

물리화학적 성질

끓는 점: 92.5 °C30 · 92.5 °C30 mm Hg(lit.)
밀도: 1.026 g/mL · 1.026 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.414(lit.)
인화점: 182 °F · 182 °F
저장 조건: 2 · 2-8°C

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (42%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Propanenitrile, 3,3-dimethoxy-

Propanenitrile, 3,3-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: NA1993
HS 번호: 29269095
risk_code: 20/21/22-36/38
hazard_code: Xn
safety_code: 23-26-28-37/39-36/37
위험 등급: CBL

화학 및 산업

제조 방법 · 1건

생산 방법3,3-Dimethoxypropanenitrile can be obtained from acrylonitrile by reaction with methanol in the presence of nitrite and platinum- or palladiumcatalysts. It is a valuable starting material for the synthesis of 4-aminopyrimidines such as cytosine.