2,4-ジシアノ-1-ブテン

2,4-Dicyano-1-butene

HCID 74080

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1572-52-7
標準SMILES: C=C(C#N)CCC#N
InChIKey: NGCJVMZXRCLPRQ-UHFFFAOYSA-N
分子式: C6H6N2
平均分子量: 106.13 g/mol
単同位体質量: 106.05309819

名称と識別子

優先名称: 2,4-Dicyano-1-butene
IUPAC: 2-methylidenepentanedinitrile
現地名: 2,4-ジシアノ-1-ブテン
英語名: 2-Methyleneglutaronitrile
分子式: C6H6N2
分子量: 106.13

名称と別名

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

名称をさらに表示

2,4-ジシアノ-1-ブテン3-ブテン-1,3-ジカルボニトリルメチレングルタロニトリル2-メチレングルタロニトリル2-メチレンペンタンジニトリル２メチレンペンタンジニトリル2,4-Dicyanobutene-1acrylonitrile dimer2-Methylenepentanedinitri2,4-Pentanedicarbonitrile2-methylene-pentanedinitril3-Butene-1,3-dicarbonitrile

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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.5
極性表面積: 47.6 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 173

物理化学的性質

融点: 9.6 °C · −9.6 °C(lit.)
沸点: 254 °C · 254 °C(lit.)
比重(密度): 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.456(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
CAS データベース: 1572 · 1572-52-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pentanedinitrile, 2-methylene-(1572-52-7)
EPAの化学物質情報: 2 · Pentanedinitrile, 2-methylene- (1572-52-7)

化学的性質

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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (49.4%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3276 6.1/PG 3
hs_code: 2926907090
risk_code: 20/21/22
化審法: (2)-3120
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 36
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物

化学と産業

用途と製造

General Manufacturing InformationPentanedinitrile, 2-methylene-: ACTIVE

応用分野

説明2-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.

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