Pyridine-2-acetonitrile (HCID 75959)

名称と識別子

優先名称: Pyridine-2-acetonitrile
IUPAC: 2-pyridin-2-ylacetonitrile
現地名: 2-ピリジンアセトニトリル
英語名: 2-Pyridylacetonitrile
分子式: C7H6N2
分子量: 118.14

名称と別名

2739-97-12-PyridineacetonitrilePyridine-2-acetonitrileEINECS 220-364-6DTXSID30181816RefChem:870725DTXCID70104307220-364-62-Pyridylacetonitrile2-(pyridin-2-yl)acetonitrile2-(2-pyridyl)acetonitrile2-pyridin-2-ylacetonitrile

名称をさらに表示

2-ピリジンアセトニトリル2-(シアノメチル)ピリジン2-シアノメチルピリジン(2-ピリジニル)アセトニトリル2-ピリジニルアセトニトリル2-(2-ピリジル)アセトニトリルピリジン-2-アセトニトリル２ピリジンアセトニトリル2-ピリジルアセトニトリル2-(ピリジン-2-イル)アセトニトリルピリジン2-アセトニトリル2-PyridoacetonitrilePyridin-2-ylacetonitrile2-PyridylacetonitrilPyridyl-2-acetonitrile2-(CYANOMETHYL)PYRIDINE2-Pyridinylacetonitrile

MFCD00006346(pyridin-2-yl)acetonitrilepyridine-acetonitrile2-(2-pyridyl)ethanenitrilepyridineacetonitrile2-pyridylactonitrile2-pyridyl acetonitrilepyrid-2-ylacetonitrile

データベース識別子

CAS: 2739-97-1
PubChem CID: 75959
DTXSID: DTXSID30181816
ChEMBL: CHEMBL4630648
EC Number: 220-364-6
Nikkaji: J208.906H

物性

構造計算による物性

XLogP: 0.6
極性表面積: 36.7 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: 1
重原子数: 9
形式電荷: 0
複雑度: 122

物理化学的性質

融点: 23 · 23-25°C
沸点: 76 · 76-77 °C/2 mmHg (lit.)
比重(密度): 1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.525(lit.)
闪点: 201 °F · 201 °F
貯蔵温度: 2 · 2-8°C, stored under nitrogen
溶解性: soluble in Chloroform, Methanol
酸解離定数(Pka): 3.22 · 3.22±0.12(Predicted)
外見: powder to lump to clear liquid
色: White or Colorless to Yellow to Orange
水溶解度: 水と混和します。
BRN: 111215 · 111215
InChI: 1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2
InChIKey: UKVQBONVSSLJBB-UHFFFAOYSA-N
SMILES: N#CCc1ccccn1
CAS データベース: 2739 · 2739-97-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Pyridylacetonitrile(2739-97-1)

化学的性質

化学的特性Colorless to yellow to orange to brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (89.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 17-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19930

Hazard Classes and CategoriesAcute Tox. 3 (89.8%)

安全データ

F: 2-8-9
wgk: 3
ridadr: UN 3276 6.1/PG 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

応用分野 · 2 件

使用2-Pyridineacetonitrile is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

一般的な説明2-Pyridylacetonitrile undergoes coupling with aromatic diazonium salts to yield arylhydrazones. It also undergoes condensation with active malonic esters to yield 1-cyano-3-substituted 2-hydroxyquinolizin-4-ones. Acylation reaction of 2-pyridylacetonitrile with hot acetic anhydride has been reported.