1H-Indazole

HCID 178945733CAS 271-42-1
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Basic information

Standard SMILES
c1ccc2n[nH]cc2c1
InChIKey
BAXOFTOLAUCFNW-UHFFFAOYSA-N
Molecular formula
C7H6N2
Average molar mass
118.14 g/mol

Overview

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

Names & identifiers

Preferred name
1H-Indazole
IUPAC
1H-indazole
English name
2H-Indazole
Molecular formula
C7H6N2
Molecular weight
118.14

Names & synonyms

1H-IndazoleINDAZOLE271-44-3Isoindazole2-Azaindole1H-Benzopyrazole1,2-DiazaindeneBenzopyrazole1,2-Diazaindene (VAN)EINECS 205-978-4NSC 263367C4VQE5C03
Show more names
2H-Indazole
CHEBI:36669NSC-263361H-INDAZOLE [MI]DTXSID40753741HBenzopyrazole2Azaindole1,2DiazaindeneRefChem:438532

Database identifiers

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

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

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 items

Positive

3.04

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physicochemical properties

Boiling point
134.7 · 134.7±13.0 °C(Predicted)
Density
1.242 · 1.242±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
pka
14 · 14.00±0.30(Predicted)
Appearance
Off-white to light yellow Solid
Symbol(GHS)
2 · GHS02

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Benzydamine hydrochloride.
Hazard Classes and CategoriesSkin Irrit. 2 (75%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS02
Hazard statements
H228
Precautionary statements
P210-P240-P241-P280-P370+P378

Chemistry & industry

Suppliers13 total

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]

Additional notes

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

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