(1-Ethoxyethylidene)malononitrile (HCID 79450)

名称と識別子

優先名称: (1-Ethoxyethylidene)malononitrile
IUPAC: 2-(1-ethoxyethylidene)propanedinitrile
現地名: (1-エトキシエチリデン)マロノニトリル
英語名: (1-Ethoxyethylidene)malononitrile
分子式: C7H8N2O
分子量: 136.15

名称と別名

5417-82-3(1-Ethoxyethylidene)malononitrile2-(1-ethoxyethylidene)propanedinitrilePropanedinitrile, (1-ethoxyethylidene)-(1-Ethoxyethylidene)propanedinitrileDG9PY6W3QKEINECS 226-521-5NSC 11585BRN 0906913Propanedinitrile, 2-(1-ethoxyethylidene)-NSC-11585DTXSID1063855

名称をさらに表示

(1-エトキシエチリデン)マロノニトリル2-(1-エトキシエチリデン)マロノニトリル2-(1-エトキシエチリデン)プロパンジニトリル（１エトキシエチリデン）マロノニトリル(1‐エトキシエチリデン)マロノニトリル2-エトキシ-1-プロペン-1,1-ジカルボニトリル(1-ｴﾄｷｼｴﾁﾘﾃﾞﾝ)ﾌﾟﾛﾊﾟﾝｼﾞﾆﾄﾘﾙ(1-Ethoxyethylidene)Malonitrile(1-ethoxyethylidene)-malononitril1-CYANO-2-ETHOXY-1-PROPENYL CYANIDE2-Cyano-3-ethoxy-3-Methylacrylonitrileα-Cyano-β-methyl-β-ethoxyacrylonitrile

4-03-00-01196 (Beilstein Handbook Reference)RefChem:68123DTXCID8041616Malononitrile, (1-ethoxyethylidene)-(6CI,7CI,8CI)226-521-5InChI=1/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H2-(1-Ethoxyethylidene)malononitrile1-Ethoxyethylidenemalononitrile

データベース識別子

CAS: 5417-82-3
PubChem CID: 79450
DTXSID: DTXSID1063855
UNII: DG9PY6W3QK
EC Number: 226-521-5
Nikkaji: J217.994F

物性

構造計算による物性

XLogP: 0.9
極性表面積: 56.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 217

物理化学的性質

融点: 90 · 90-92 °C(lit.)
沸点: 250.42 °C · 250.42°C (rough estimate)
比重(密度): 1.1778 · 1.1778 (rough estimate)
屈折率: 1.5769 · 1.5769 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、ジクロロメタン
外見: 結晶性粉末およびチャンク
色: 白からベージュ
InChI: InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3
InChIKey: BOSVWXDDFBSSIZ-UHFFFAOYSA-N
SMILES: C(#N)/C(=C(/OCC)\C)/C#N
CAS データベース: 5417 · 5417-82-3(CAS DataBase Reference)
EPAの化学物質情報: Propanedinitrile, (1-ethoxyethylidene)- (5417-82-3)

化学的性質

化学的特性white to beige crystalline powder and chunks

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Propanedinitrile, (1-ethoxyethylidene)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: TY1510000
ridadr: UN 3439 6.1/PG 3
hs_code: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-28-36/37/39-45
hazard_class: 6.1(b)
packing_group: III
毒劇物取締法: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationPropanedinitrile, 2-(1-ethoxyethylidene)-: ACTIVE

応用分野

使用(1-Ethoxyethylidene)malononitrile was used in the synthesis of benzyl 5-amino-4-cyano-3-methyl-1H pyrazole-1-carboxylate and 2-amino-6-mercaptopyridine-3,5-dicarbonitrile derivatives.

一般的な説明(1-Ethoxyethylidene)malononitrile is also referred as 2-(1-ethoxyethylidene)malononitrile.