Indazole-5-carboxaldehyde - CAS 253801-04-6

Catalog:	BB018889
Product Name:	Indazole-5-carboxaldehyde
CAS:	253801-04-6
Synonyms:	1H-indazole-5-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1H-indazole-5-carbaldehyde
Description:	Indazole-5-carboxaldehyde (CAS# 253801-04-6) is a useful research chemical.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC2=C(C=C1C=O)C=NN2
InChI:	InChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10)
InChI Key:	YJKMYHNMBGQQQZ-UHFFFAOYSA-N
Boiling Point:	358.3 °C at 760 mmHg
Purity:	97.0 %
Density:	1.368 g/cm³
Appearance:	Solid
MDL:	MFCD06738280
LogP:	1.37540

Publication Number	Title	Priority Date
CN-112266378-A	Imidazole derivative containing indazole structure and preparation method and application thereof	20201109
CN-112266378-B	Imidazole derivative containing indazole structure and preparation method and application thereof	20201109
KR-20210106384-A	Novel method of re-bridging reduced disulfide bonds of peptides to single carbon linker containing aldehyde functional groups	20200220
WO-2021163727-A1	Pikfyve kinase inhibitors	20200211
WO-2021116999-A1	Compounds and compositions for the treatment of tumors	20191211

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Indazoles

[13744-68-8]
N1-(6-Indazolyl)sulfanilamide
[1006-28-6]
(1H-Indazol-3-yl)-methyl-amine
[290368-00-2]
1-Boc-3-iodo-1H-indazole
[1956318-62-9]
3-Amino-5-[(3,5-difluorophenyl)difluoromethyl]-1H-indazole
[885520-77-4]
4-Methyl-6-nitro-1H-indazole
[885518-50-3]
4-Amino-6-bromo-1H-indazole

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
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:	1.7