1H-Indazole-3-carbonitrile - CAS 50264-88-5

Catalog:	BB026981
Product Name:	1H-Indazole-3-carbonitrile
CAS:	50264-88-5
Synonyms:	1H-indazole-3-carbonitrile; 1H-indazole-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1H-indazole-3-carbonitrile
Description:	1H-Indazole-3-carbonitrile (CAS# 50264-88-5) is a useful research chemical.
Molecular Weight:	143.15
Molecular Formula:	C8H5N3
Canonical SMILES:	C1=CC=C2C(=C1)C(=NN2)C#N
InChI:	InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
InChI Key:	REHRQXVEAXFIML-UHFFFAOYSA-N
Boiling Point:	370.312 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD01860240
LogP:	1.43458

Publication Number	Title	Priority Date
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909
KR-102048050-B1	Synthetic method of metabolites of adb-fubinaca	20190829
CN-112239468-A	Metal-free and solvent-free synthesis of fused pyridine heterocycles and biomedical applications thereof	20190719
US-2021070765-A1	Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications	20190719
WO-2021014463-A1	Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications	20190719

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.048347172
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6