5-Iodo-1H-indazole

HCID 21894739CAS 55919-82-9

Substructure search Find similar structures

Basic information

Standard SMILES: Ic1ccc2[nH]ncc2c1
InChIKey: CGCHCLICSHIAAM-UHFFFAOYSA-N
Molecular formula: C7H5IN2
Average molar mass: 244.03 g/mol
Monoisotopic mass: 243.94974616

Names & identifiers

Preferred name: 5-Iodo-1H-indazole
IUPAC: 5-iodo-1H-indazole
English name: 5-Iodo-1H-indazole
Molecular formula: C7H5IN2
Molecular weight: 244.03

Names & synonyms

5-Iodo-1H-indazole55919-82-9DTXSID00619590RefChem:102952DTXCID50570344640-869-95-IODOINDAZOLE5-iodanyl-1H-indazole1H-INDAZOLE, 5-IODO-MFCD07781642CHEMBL3913485-Iodo(1H)indazole

Show more names

5-IODO (1H)INDAZOLE Cas: 55919-82-9

5-iodio-1H-indazoleSCHEMBL264176CS-D12495-IODO (1H)INDAZOLEBCP272498Y492B8RSNSCHEMBL4773397BDBM50209243

Database identifiers

CAS: 55919-82-9
PubChem CID: 21894739
DTXSID: DTXSID00619590
ChEMBL: CHEMBL391348
UNII: 8Y492B8RSN
EC Number: 640-869-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 156 °C · 156 °C
Boiling point: 358.2 · 358.2±15.0 °C(Predicted)
Density: 2.082 · 2.082±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
form: Crystalline Powder
pka: 12.87 · 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
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P280
HS Code: 29339980 · 29339980

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (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.