HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11615696Generated: October 27, 2026
6-Iodoindoline
6-Iodoindoline · 2,3-Dihydro-6-iodo-1H-indole · 1H-Indole, 2,3-dihydro-6-iodo- · 6-Iodo-2,3-dihydro-1H-indole hydrochloride
https://huagongshe.com/en/chemical/11615696
Identifiers & Physical Properties
| CAS No. | 115666-46-1 |
|---|
| Molecular formula | C8H8IN |
|---|
| Average molar mass | 245.06 g/mol |
|---|
| SMILES | Ic1ccc2c(c1)NCC2 |
|---|
| InChIKey | KGCBZEKELZUOFI-UHFFFAOYSA-N |
|---|
| PubChem CID | 11615696 |
|---|
| EC No. | 813-457-3 |
|---|
Chemical & Physical Properties
| XLogP | 2.6 |
|---|
| Topological polar surface area | 12 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 1 |
|---|
| Rotatable bonds | 0 |
|---|
| Heavy atoms | 10 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 126 |
|---|
| Melting point | 83-90 °C |
|---|
| Boiling point | 289.6±29.0 °C(Predicted) |
|---|
| Density | 1.793±0.06 g/cm3(Predicted) |
|---|
| Storage conditions | -20°C, sealed storage, away from moisture |
|---|
| Physical state | powder |
|---|
| pKa (acidity coefficient) | 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 |
|---|
| NACRES | NA.21 |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H317 |
|---|
| GHS precautionary statements | P280 |
|---|
| Customs code | 2933998090 |
|---|
| Storage class | 11 - Combustible Solids |
|---|
| Hazard class | Acute Tox. 4 Oral |
|---|
Safety & Regulations
| 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, 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. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Customs code | 2933998090 |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| Storage class | 11 - Combustible Solids |
|---|
| GHS hazard statements | H302-H317 |
|---|
| Hazard class | Acute Tox. 4 Oral |
|---|
| GHS precautionary statements | P280 |
|---|
