1,4-ビス(ジシアノメチレン)シクロヘキサン

Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-

HCID 73696CAS 1518-15-6

部分構造検索類似構造を探す

基本情報

標準SMILES: N#CC(C#N)=C1CCC(=C(C#N)C#N)CC1
InChIKey: NXQNMVFWIRBUHX-UHFFFAOYSA-N
分子式: C12H8N4
平均分子量: 208.22 g/mol
単同位体質量: 208.07489626

名称と識別子

優先名称: Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-
IUPAC: 2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrile
現地名: 1,4-ビス(ジシアノメチレン)シクロヘキサン
英語名: (1,4-Cyclohexanediylidene)-dimalononitrile
分子式: C12H8N4
分子量: 208.22

名称と別名

Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-EINECS 216-173-2NSC 57669BRN 2213739delta1,alpha:4,alpha'-Cyclohexanedimalonitrile2,2'-(1,4-Cyclohexanediylidene)bismalononitriledelta(sup1alpha:4alpha')Cyclohexanedimalononitriledelta(1,alpha:4,alpha')-CyclohexanedimalononitrileDTXSID0061747delta1,alpha:4,alpha'-Cyclohexanedimalononitriledelta(sup 1-alpha,4-alpha')-CyclohexanedimalononitrileRefChem:868890

名称をさらに表示

1,4-ビス(ジシアノメチレン)シクロヘキサン2,2'-(1,4-シクロヘキサンジイリデン)ビス(プロパンジニトリル)(Cyclohexane-1,4-diylidene)dimalononitrileTIMTEC-BB SBB0081971 4-BIS(DICYANOMETHYLENE)CYCLOHEXANE(1,4-Cyclohexylidene)dimalononitrile2,2'-(1,4-CYCLOHEXANEDIYLIDENE)-BISPROPANEDINITRILE2-[4-(dicyanomethylene)cyclohexylidene]malononitriledelta(sup1-alpha,4-alpha’)-cyclohexanedimalononitrile

DTXCID2034914delta1,alpha:4,alpha'-Cyclohexanedimalononitrile (8CI)216-173-21518-15-61,4-Bis(dicyanomethylene)cyclohexane(1,4-Cyclohexanediylidene)-dimalononitrile2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrilePropanedinitrile,2,2'-(1,4-cyclohexanediylidene)bis-

データベース識別子

CAS: 1518-15-6
PubChem CID: 73696
DTXSID: DTXSID0061747
UNII: 2HN6WU4Q95
EC Number: 216-173-2
Nikkaji: J23.551B

物性

構造計算による物性

XLogP: 0.6
極性表面積: 95.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 16
形式電荷: 0
複雑度: 465

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

物理化学的性質

融点: 216 · 216-217 °C
沸点: 337.41 °C · 337.41°C (rough estimate)
比重(密度): 1.276 · 1.2760 (rough estimate)
屈折率: 1.5 · 1.5000 (estimate)
貯蔵温度: Store at room temperature
EPAの化学物質情報: 2 · Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis- (1518-15-6)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Sens. 1 (100%)

安全データ

tsca: TSCA listed
毒性: LD50 ivn-mus: 56 mg/kg CSLNX* NX#05268

化学と産業

用途と製造

General Manufacturing InformationPropanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-: INACTIVE

サプライヤー19 社

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]