2H-吲唑

1H-Indazole

HCID 178945733CAS 271-42-1

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基本信息

标准SMILES: c1ccc2n[nH]cc2c1
InChIKey: BAXOFTOLAUCFNW-UHFFFAOYSA-N
分子式: C7H6N2
平均分子量: 118.14 g/mol

概述

1H-indazole is an indazole. It is a tautomer of a 2H-indazole.

名称与标识

首选名称: 1H-Indazole
IUPAC: 1H-indazole
中文名: 2H-吲唑
英文名: 2H-Indazole
分子式: C7H6N2
分子量: 118.14

名称与别名

1H-IndazoleINDAZOLE271-44-3Isoindazole2-Azaindole1H-Benzopyrazole1,2-DiazaindeneBenzopyrazole1,2-Diazaindene (VAN)EINECS 205-978-4NSC 263367C4VQE5C03

展开更多名称

2H-吲唑2H-Indazole

CHEBI:36669NSC-263361H-INDAZOLE [MI]DTXSID40753741HBenzopyrazole2Azaindole1,2DiazaindeneRefChem:438532

数据库标识

CAS: 271-42-1
ChEMBL: CHEMBL86795
ChEBI: CHEBI:36669
UNII: 7C4VQE5C03
EC Number: 205-978-4
Nikkaji: J53.721G、J707.642H

性质

结构计算性质

XLogP: 1.8
极性表面积: 28.7 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 103

实验与物化性质

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP1.82

Vapor Pressure0.00148 [mmHg]

Physical DescriptionSolid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]

Ionization Efficiency · 6 条

Positive

3.04

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学性质

沸点: 134.7 · 134.7±13.0 °C(Predicted)
密度: 1.242 · 1.242±0.06 g/cm3(Predicted)
储存条件: Inert atmosphere,Room Temperature
酸度系数(pKa): 14 · 14.00±0.30(Predicted)
外观: Off-white to light yellow Solid

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Benzydamine hydrochloride.

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

化学与工业

供应商13 家

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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