2-메틸렌글루타로니트릴

2,4-Dicyano-1-butene

HCID 74080

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1572-52-7
표준 SMILES: C=C(C#N)CCC#N
InChIKey: NGCJVMZXRCLPRQ-UHFFFAOYSA-N
분자식: C6H6N2
평균 분자량: 106.13 g/mol
단동위원소 질량: 106.05309819

이름 및 식별자

우선 이름: 2,4-Dicyano-1-butene
IUPAC: 2-methylidenepentanedinitrile
현지명: 2-메틸렌글루타로니트릴
영어명: 2-Methyleneglutaronitrile
분자식: C6H6N2
분자량: 106.13

이름 및 동의어

2-Methyleneglutaronitrile2-Methylenepentanedinitrile1572-52-7Methylene glutaronitrile2,4-Dicyano-1-butenePentanedinitrile, 2-methylene-Glutaronitrile, 2-methylene-2-MethyleneglutarodinitrileDTXSID2027418EINECS 216-391-8.alpha.-Methyleneglutaronitrile.alpha.-Methyleneglutarodinitrile

이름 더 보기

2-메틸렌글루타로니트릴2,4-Dicyanobutene-1acrylonitrile dimer2-Methylenepentanedinitri2,4-Pentanedicarbonitrile2-methylene-pentanedinitril3-Butene-1,3-dicarbonitrile

0Y85F7Y2B8DTXCID007418METHYLENEGLUTARONITRILE, 2-.ALPHA.-CYANOETHYLACRYLONITRILEalpha-Methyleneglutaronitrilealpha-MethyleneglutarodinitrileRefChem:443503alpha-cyanoethylacrylonitrile

데이터베이스 식별자

CAS: 1572-52-7
PubChem CID: 74080
DTXSID: DTXSID2027418
ChEMBL: CHEMBL3182918
UNII: 0Y85F7Y2B8
EC Number: 216-391-8
Nikkaji: J27.805J

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 173

물리화학적 성질

녹는점: 9.6 °C · −9.6 °C(lit.)
끓는 점: 254 °C · 254 °C(lit.)
밀도: 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.456(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
NIST: 2 · Pentanedinitrile, 2-methylene-(1572-52-7)
EPA: 2 · Pentanedinitrile, 2-methylene- (1572-52-7)

화학적 성질

Colorless liquid.Slightly soluble in water; insoluble in aliphatic andalicyclic hydrocarbons, soluble in aromatic hydro-carbons and polar organic solvents.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 46.8% (37 of 79) of reports.

Warning

H302 (49.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (49.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3276 6.1/PG 3
HS 번호: 2926907090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-23923

화학 및 산업

용도 및 제조

General Manufacturing InformationPentanedinitrile, 2-methylene-: ACTIVE

응용 분야

개요2-Methyleneglutaronitrile [1572-52-7], acrylonitrile dimer, 2,4-dicyano-1-butene, 2- methylenepentanedinitrile, NCC2H4C (=CH2) CN, is a colorless liquid slightly miscible with water, ethanol, acetone and benzene, immiscible with hexane.

용도Vinyl monomer for polymerization and copoly-merization, intermediate in making fibers and phar-maceuticals.