3-iodo-1H-indole

HCID 11207253

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Basic information

CAS: 26340-47-6
Standard SMILES: Ic1c[nH]c2ccccc12
InChIKey: FQVDXLYJTMHMCG-UHFFFAOYSA-N
Molecular formula: C8H6IN
Average molar mass: 243.04 g/mol
Monoisotopic mass: 242.95449719

Names & identifiers

Preferred name: 3-iodo-1H-indole
IUPAC: 3-iodo-1H-indole
English name: 3-Iodoindole
Molecular formula: C8H6IN
Molecular weight: 243.04

Names & synonyms

3-iodo-1H-indole26340-47-6DTXSID20458781RefChem:502655DTXCID50409600823-661-43-IODOINDOLE1H-Indole, 3-iodo-MFCD077783643-indolyl-iodide3-Iodo-indole3-jod-1H-indole

Show more names

3-Iodoindole, 95%SCHEMBL84022SCHEMBL3849040SCHEMBL29472310FQVDXLYJTMHMCG-UHFFFAOYSA-TQP1279FQVDXLYJTMHMCG-UHFFFAOYSA-NAKOS016028430

Database identifiers

CAS: 26340-47-6
PubChem CID: 11207253
DTXSID: DTXSID20458781
EC Number: 823-661-4
Nikkaji: J533.348B

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 72 °C · 72 °C
Boiling point: 341.7 · 341.7±15.0 °C(Predicted)
Density: 1.96 · 1.960±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
solubility: Dichloromethane, Methanol
pka: 15.5 · 15.50±0.30(Predicted)
form: Solid
color: Cream to brown
Sensitive: Light Sensitive
Stability: Unstable
CAS DataBase Reference: 26340 · 26340-47-6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933992000 · 2933992000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.