HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11470918Generated: November 2, 2026
7-Iodooxindole
7-Iodooxindole · 7-Iodooxindole, 96% · 7-Iodo-1,3-dihydro-2H-indol-2-one · 1,3-Dihydro-7-iodo-2H-indol-2-one · 2H-Indol-2-one, 1,3-dihydro-7-iodo- · 2-{[Amino(imino)methyl]amino}ethanesulfonic acid
https://huagongshe.com/en/chemical/11470918
Identifiers & Physical Properties
| CAS No. | 31676-49-0 |
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| Molecular formula | C8H6INO |
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| Average molar mass | 259.04 g/mol |
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| Monoisotopic mass | 258.94941 g/mol |
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| SMILES | O=C1Cc2cccc(I)c2N1 |
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| InChIKey | KLJWMAKCVALVKZ-UHFFFAOYSA-N |
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| PubChem CID | 11470918 |
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| DTXSID | DTXSID101299073 |
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Chemical & Physical Properties
| XLogP | 1.4 |
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| Topological polar surface area | 29.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 183 |
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| Melting point | 208-209℃ |
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| Boiling point | 377.9±42.0 °C(Predicted) |
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| Density | 1.945±0.06 g/cm3(Predicted) |
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| Physical state | powder |
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| pKa (acidity coefficient) | 13.22±0.20(Predicted) |
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| Sensitivity | Light Sensitive |
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| InChI | 1S/C8H6INO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-4,10-11H |
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| InChIKey | JJOWDZXRHUEZDS-UHFFFAOYSA-N |
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| SMILES | IC1=CC=CC2=C1NC(C2)=O |
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| UNSPSC Code | 12352101 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 |
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| Water hazard class (WGK) | WGK 3 |
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| Storage class | 11 - Combustible Solids |
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Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 |
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