6-キノリンカルボニトリル

Quinoline-6-carbonitrile

HCID 592995CAS 23395-72-4

部分構造検索類似構造を探す

基本情報

標準SMILES: N#Cc1ccc2ncccc2c1
InChIKey: NIFLNJLWZZABMI-UHFFFAOYSA-N
分子式: C10H6N2
平均分子量: 154.17 g/mol
単同位体質量: 154.0530982

名称と識別子

優先名称: Quinoline-6-carbonitrile
IUPAC: quinoline-6-carbonitrile
現地名: 6-キノリンカルボニトリル
英語名: quinoline-6-carbonitrile
分子式: C10H6N2
分子量: 154.17

名称と別名

quinoline-6-carbonitrile23395-72-4DTXSID60343900RefChem:1097878DTXCID502949776-Cyanoquinoline6-QuinolinecarbonitrileMFCD099995436-Cyano quinoline6-Quinolinecarbonitrile #SCHEMBL506632AKOS005256934

名称をさらに表示

6-キノリンカルボニトリルキノリン-6-カルボニトリルBenzaldehyde,3,4-dichloro-5-hydroxy-

FS-2824SB35812CS-0019004EN300-42062Quinolin-6-carbonitrileFT-0647923A878254orb3023533

データベース識別子

CAS: 23395-72-4
PubChem CID: 592995
DTXSID: DTXSID60343900
EC Number: 806-190-9
Nikkaji: J1.410.224H

物性

構造計算による物性

XLogP: 1.9
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: 0
重原子数: 12
形式電荷: 0
複雑度: 203

物理化学的性質

融点: 133 · 133-134℃ (methanol )
沸点: 323.7 · 323.7±15.0 °C(Predicted)
比重(密度): 1.21 · 1.21±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 3.5 · 3.50±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.