结构:N#Cc1nccc2ccccc12
HCID306057

1-Isoquinolinecarbonitrile

isoquinoline-1-carbonitrile

C10H6N2154.17 g/molCAS 1198-30-7

IDENTITY

结构与身份

标准 SMILES
N#Cc1nccc2ccccc12
InChIKey
HJHXYSBRTVFEDD-UHFFFAOYSA-N
分子式
C10H6N2
平均分子量
154.17 g/mol
单同位素质量
154.0530982

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
36.7 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
12
形式电荷
0
复杂度
203

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (91.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 46 reports by companies from 5 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Acute Tox. 4 (91.3%);Skin Irrit. 2 (95.7%);Eye Irrit. 2 (95.7%);Acute Tox. 4 (91.3%);STOT SE 3 (95.7%)

ALIASES

名称与别名

45
1-IsoquinolinecarbonitrileRefChem:433383627-280-2isoquinoline-1-carbonitrile1198-30-71-CyanoisoquinolineIsoquinaldonitrileMFCD00134166isoquinolinecarbonitrileY94LJ44YSDUNII-Y94LJ44YSDNSC 203335NSC-203335isoquinaldinic nitrile1-cyano-isoquinolineNSC203335Maybridge1_0021141-isoquinoline carbonitrileBIDD:GT0021SCHEMBL251028

REACTIONS

参与反应

2