Indazole - CAS 271-44-3

Catalog:	BB019482
Product Name:	Indazole
CAS:	271-44-3
Synonyms:	1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	1H-indazole
Description:	Indazole (CAS# 271-44-3) is a useful research chemical.
Molecular Weight:	118.14
Molecular Formula:	C7H6N2
Canonical SMILES:	C1=CC=C2C(=C1)C=NN2
InChI:	InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
InChI Key:	BAXOFTOLAUCFNW-UHFFFAOYSA-N
Boiling Point:	270 °C (743 mmHg)
Density:	1.242 g/cm³
Appearance:	Solid
MDL:	MFCD00005691
LogP:	1.56290
Vapor Pressure:	0.00148 [mmHg]

Publication Number	Title	Priority Date
US-11015113-B1	Wet-coated proppant and methods of making and using same	20200413
EP-3842444-A1	Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device	20191224
US-2021193938-A1	Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device	20191224
EP-3838908-A1	Organometallic compound and organic light-emitting device including the same	20191220
US-2021186983-A1	Orally administered combinations of amoxicillin and avibactam derivatives for treating mycobacterial infections	20191220

PMID	Publication Date	Title	Journal
33271325	20210301	Activation of inflammasomes by tyrosine kinase inhibitors of vascular endothelial growth factor receptor: Implications for VEGFR TKIs-induced immune related adverse events	Toxicology in vitro : an international journal published in association with BIBRA
33096162	20210101	Azepino-indazoles as calcitonin gene-related peptide (CGRP) receptor antagonists	Bioorganic & medicinal chemistry letters
33197196	20201210	Selective Inhibitors of G2019S-LRRK2 Kinase Activity	Journal of medicinal chemistry
33050066	20201008	In Vitro Interaction of AB-FUBINACA with Human Cytochrome P450, UDP-Glucuronosyltransferase Enzymes and Drug Transporters	Molecules (Basel, Switzerland)
32688070	20200901	The short-acting synthetic cannabinoid AB-FUBINACA induces physical dependence in mice	Drug and alcohol dependence

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Related Functional Groups

Indazoles

[1082041-85-7]
5-Bromo-4-fluoro-1H-indazole
[43120-28-1]
Methyl 1H-indazole-3-carboxylate
[78299-75-9]
5-Benzyloxy-1H-indazole
[937601-52-0]
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)butanenitrile
[1220220-18-7]
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine
[1082041-91-5]
4-Chloro-1H-indazole-5-carbonitrile

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.0530982
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.0530982
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8