5-Iodo-1H-indazole

1H-Indazole, 5-iodo- · 5-IODOINDAZOLE · 5-IODO (1H)INDAZOLE · 5-IODO (1H)INDAZOLE Cas: 55919-82-9

Identifiers & Physical Properties

CAS No.	55919-82-9
Molecular formula	C7H5IN2
Average molar mass	244.03 g/mol
Monoisotopic mass	243.94974616 g/mol
SMILES	Ic1ccc2[nH]ncc2c1
InChIKey	CGCHCLICSHIAAM-UHFFFAOYSA-N
PubChem CID	21894739
ChEMBL	CHEMBL391348
EC No.	640-869-9
DTXSID	DTXSID00619590

XLogP	2.4
Topological polar surface area	28.7
Hydrogen bond donors	1
Hydrogen bond acceptors	1
Rotatable bonds	0
Heavy atoms	10
Formal charge	0
Complexity	129
Melting point	156 °C
Boiling point	358.2±15.0 °C(Predicted)
Density	2.082±0.06 g/cm3(Predicted)
Storage conditions	2-8°C(protect from light)
Physical state	Crystalline Powder
pKa (acidity coefficient)	12.87±0.40(Predicted)
Color	Yellow to brown to purple
InChI	InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey	CGCHCLICSHIAAM-UHFFFAOYSA-N
SMILES	N1C2=C(C=C(I)C=C2)C=N1
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302+H312+H332-H315-H319-H335
GHS precautionary statements	P260-P280
Customs code	29339980

GHS classification	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Customs code	29339980
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H302+H312+H332-H315-H319-H335
GHS precautionary statements	P260-P280

Used as a reactant for the preparation of indazole-pyridine based protein kinase B/Akt inhibitors.