6-Iodoindoline

HCID 11615696

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Basic information

CAS: 115666-46-1
Standard SMILES: Ic1ccc2c(c1)NCC2
InChIKey: KGCBZEKELZUOFI-UHFFFAOYSA-N
Molecular formula: C8H8IN
Average molar mass: 245.06 g/mol

Names & identifiers

Preferred name: 6-Iodoindoline
IUPAC: 6-iodo-2,3-dihydro-1H-indole
English name: 6-Iodo-2,3-dihydro-1H-indole hydrochloride
Molecular formula: C8H8IN
Molecular weight: 245.06

Names & synonyms

6-Iodoindoline115666-46-1RefChem:543474813-457-36-iodo-2,3-dihydro-1H-indole1H-Indole, 2,3-dihydro-6-iodo-MFCD073716416-iodo-indoline6-IODO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDESCHEMBL981053TQP1217AKOS015898448

Show more names

2,3-Dihydro-6-iodo-1H-indole

PS-7532SB15347CS-00448836-iodo-2,3 -dihFT-0747904SCHEMBL5544221SCHEMBL305846506-iodo-2,3 -dihydro-1H-indole

Database identifiers

CAS: 115666-46-1
PubChem CID: 11615696
EC Number: 813-457-3

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 83 · 83-90 °C
Boiling point: 289.6 · 289.6±29.0 °C(Predicted)
Density: 1.793 · 1.793±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
form: powder
pka: 4.37 · 4.37±0.20(Predicted)
color: Grey
InChI: 1S/C8H8IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
InChIKey: KGCBZEKELZUOFI-UHFFFAOYSA-N
SMILES: IC1=CC=C2CCNC2=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.