6-Nitroindazole - CAS 7597-18-4

Catalog:	BB035453
Product Name:	6-Nitroindazole
CAS:	7597-18-4
Synonyms:	1H-Indazole, 6-nitro-; Indazole, 6-nitro-; 6-Nitroisoindazole; NSC 35066; NSC 56816

Technical Data

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Computed Properties

IUPAC Name:	6-nitro-1H-indazole
Description:	Anticonvulsant.
Molecular Weight:	163.13
Molecular Formula:	C7H5N3O2
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])NN=C2
InChI:	InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
InChI Key:	ORZRMRUXSPNQQL-UHFFFAOYSA-N
Boiling Point:	383.3±15.0°C at 760 mmHg
Melting Point:	181°C
Purity:	≥95%
Density:	1.525±0.06 g/cm3
Solubility:	Soluble in hot Methanol
Appearance:	Light Yellow Powder
Storage:	Store at RT
MDL:	MFCD00005695
LogP:	1.99430

Publication Number	Title	Priority Date
US-2021301175-A1	Polishing composition	20200330
WO-2020215022-A1	Novel compounds and methods of use treating fructose-related disorders or diseases	20190417
WO-2020205501-A1	Complement modulators and related methods	20190329
TW-202102481-A	Complement modulators and related methods	20190329
TW-202100711-A	Polishing composition, method for polishing and method for manufacturing substrate	20190327

PMID	Publication Date	Title	Journal
19669997	20091001	Nitroindazole compounds inhibit the oxidative activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxin to neurotoxic pyridinium cations by human monoamine oxidase (MAO)	Free radical research
19679481	20090901	Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation	Bioorganic & medicinal chemistry
18270316	20080501	Activities of 7-nitroindazole and 1-(2-(trifluoromethylphenyl)-imidazole independent of neuronal nitric-oxide synthase inhibition	The Journal of pharmacology and experimental therapeutics
12437348	20021126	Conformational changes in nitric oxide synthases induced by chlorzoxazone and nitroindazoles: crystallographic and computational analyses of inhibitor potency	Biochemistry
7693279	19930901	Inhibition of rat cerebellar nitric oxide synthase by 7-nitro indazole and related substituted indazoles	British journal of pharmacology

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Related Functional Groups

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[1082041-90-4]
5-Bromo-4-chloro-1H-indazole
[807287-45-2]
3-(Chloromethyl)-4,5,6,7-tetrahydro-1H-indazole

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GHS Hazard Statement:	H302 (91.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.038176411
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1