1H-吲唑-3-甲腈

1H-Indazole-3-carbonitrile

HCID 437556CAS 50264-88-5

子结构检索查找相似结构

基本信息

标准SMILES: N#Cc1n[nH]c2ccccc12
InChIKey: REHRQXVEAXFIML-UHFFFAOYSA-N
分子式: C8H5N3
平均分子量: 143.15 g/mol
单同位素质量: 143.04834716

名称与标识

首选名称: 1H-Indazole-3-carbonitrile
IUPAC: 1H-indazole-3-carbonitrile
中文名: 1H-吲唑-3-甲腈
英文名: 1H-Indazole-3-carbonitrile
分子式: C8H5N3
分子量: 143.15

名称与别名

1H-indazole-3-carbonitrile50264-88-5DTXSID40331340RefChem:79840DTXCID90282434829-947-53-Cyano-1H-indazoleMFCD018602403-CyanoindazolecyanoindazoleK4RNSC520611

展开更多名称

氯尼达明杂质321H-吲唑-3-腈1H-吲唑-3-甲腈NSC 5206113-CYANO-INDAZOLELonidamine Impurity 321H-Indazole-3-carbonitrile CAS NO.50264-88-51H-Indazole-3-carbonitrile1H-Indazole-3-carbonitrile

3-cyano-2h-indazoleINDAZOLE-3-CARBONITRILESCHEMBL1290531SCHEMBL2563702SCHEMBL9388105SCHEMBL10468778SCHEMBL10468779SCHEMBL16616856

数据库标识

CAS: 50264-88-5
PubChem CID: 437556
DTXSID: DTXSID40331340
EC Number: 829-947-5
Nikkaji: J1.376.470K

性质

结构计算性质

XLogP: 1.6
极性表面积: 52.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 193

物理化学性质

沸点: 370.3 · 370.3±15.0 °C(Predicted)
密度: 1.33 · 1.33±0.1 g/cm3(Predicted)
储存条件: 2 · 2-8°C
形态: solid
酸度系数(pKa): 10.87 · 10.87±0.40(Predicted)
颜色: Yellow

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.