6-Iodo-1H-indazole - CAS 261953-36-0

Catalog:	BB019189
Product Name:	6-Iodo-1H-indazole
CAS:	261953-36-0
Synonyms:	6-iodo-1H-indazole; 6-iodo-1H-indazole

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Computed Properties

IUPAC Name:	6-iodo-1H-indazole
Description:	6-Iodo-1H-indazole (CAS# 261953-36-0) is an intermediate used to synthesize inhibitors of Chk1.
Molecular Weight:	244.03
Molecular Formula:	C7H5IN2
Canonical SMILES:	C1=CC2=C(C=C1I)NN=C2
InChI:	InChI=1S/C7H5IN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChI Key:	RSGAXJZKQDNFEP-UHFFFAOYSA-N
Boiling Point:	358.2 °C at 760 mmHg
Density:	2.082 g/cm³
MDL:	MFCD04114695
LogP:	2.16750

Publication Number	Title	Priority Date
WO-2021124172-A1	3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20191218
CN-112209860-A	Preparation method of axitinib intermediate	20190711
WO-2020212253-A1	Process for preparing axitinib, process for purifying the intermediate 2-((3-iodo-1h-indazol-6-yl)thio)-n-methylbenzamide, process for purifying axitinib via the axitinib hcl salt, solid form of the axitinib hcl salt	20190418
WO-2020207352-A1	Triazine benzimidazole compounds and medical use thereof	20190411
WO-2020210377-A1	Heterocyclic compounds and uses thereof	20190409

PMID	Publication Date	Title	Journal
15736192	20050401	Microemulsions as colloidal vehicle systems for dermal drug delivery. Part V: Microemulsions without and with glycolipid as penetration enhancer	Journal of pharmaceutical sciences
15620295	20050104	Biocompatible lecithin organogels: structure and phase equilibria	Langmuir : the ACS journal of surfaces and colloids
12429489	20021024	Rheological properties of three component creams containing sorbitan monoesters as surfactants	International journal of pharmaceutics

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GHS Hazard Statement:	H302 (97.56%): 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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.94975
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.94975
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4