6-Bromo-4-nitro-1H-indazole - CAS 885518-46-7

Catalog:	BB038961
Product Name:	6-Bromo-4-nitro-1H-indazole
CAS:	885518-46-7
Synonyms:	6-bromo-4-nitro-1H-indazole; 6-bromo-4-nitro-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-4-nitro-1H-indazole
Description:	6-Bromo-4-nitro-1H-indazole (CAS# 885518-46-7) is a reagent in the preparation of 1,2,4-triazine-6-carboxamide derivatives having acetamide group as Syk kinase inhibitors for the treatment of cancer, allergy, or autoimmune diseases.
Molecular Weight:	242.03
Molecular Formula:	C7H4BrN3O2
Canonical SMILES:	C1=C(C=C2C(=C1[N+](=O)[O-])C=NN2)Br
InChI:	InChI=1S/C7H4BrN3O2/c8-4-1-6-5(3-9-10-6)7(2-4)11(12)13/h1-3H,(H,9,10)
InChI Key:	AHEMYGJJCOXPSP-UHFFFAOYSA-N
Appearance:	Light brown powder
MDL:	MFCD07368216
LogP:	2.75680

Publication Number	Title	Priority Date
AU-2018312349-A1	Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors	20170801
CA-3069990-A1	Pyrazolo and triazolo bicyclic compounds as jak kinase inhibitors	20170801
CN-111032646-A	Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors	20170801
EP-3652169-A1	Pyrazolo and triazolo bicyclic compounds as jak kinase inhibitors	20170801
KR-20200036004-A	Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors	20170801

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Related Functional Groups

Indazoles

[271-44-3]
Indazole
[4498-67-3]
Indazole-3-carboxylic acid
[590417-95-1]
6-Bromo-2-methyl-2H-indazole
[66607-27-0]
3-Iodo-1H-indazole
[353457-63-3]
4-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)aniline
[37067-95-1]
2-Iodo-1-methyl-1H-imidazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.94869
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.94869
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1