1H-Indazole-4-carbaldehyde - CAS 669050-70-8

Catalog:	BB033133
Product Name:	1H-Indazole-4-carbaldehyde
CAS:	669050-70-8
Synonyms:	1H-indazole-4-carboxaldehyde; 1H-indazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1H-indazole-4-carbaldehyde
Description:	1H-Indazole-4-carbaldehyde (CAS# 669050-70-8) is a useful research chemical.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC(=C2C=NNC2=C1)C=O
InChI:	InChI=1S/C8H6N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-5H,(H,9,10)
InChI Key:	FPJXNCKSPFGQGC-UHFFFAOYSA-N
Boiling Point:	358.3 °C at 760 mmHg
Density:	1.368 g/cm³
MDL:	MFCD06738279
LogP:	1.37540

Publication Number	Title	Priority Date
CN-113024435-A	Linbicyclic structure sigma-1 receptor inhibitors	20191209
WO-2020254552-A2	Substituted pyrrolidine amides v	20190619
WO-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	20190313
WO-2020114949-A1	Heteroaromatic compounds as vanin inhibitors	20181203
CN-113166117-A	Heteroaromatic compounds as VANIN inhibitors	20181203

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.048012819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1