Identifiers & Physical Properties
| CAS No. | 615-43-0 |
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| Molecular formula | C6H6IN |
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| Average molar mass | 219.02 g/mol |
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| Monoisotopic mass | 218.95449719 g/mol |
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| SMILES | Nc1ccccc1I |
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| InChIKey | UBPDKIDWEADHPP-UHFFFAOYSA-N |
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| PubChem CID | 11995 |
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| EC No. | 210-426-0 |
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| DTXSID | DTXSID5060649 |
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Chemical & Physical Properties
| XLogP | 2.3 |
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| Topological polar surface area | 26 |
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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 | 8 |
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| Formal charge | 0 |
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| Complexity | 74.9 |
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| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
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| LogP (partition coefficient) | 2.32 |
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| Melting point | 56.5 °C |
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| Boiling point | 262.0±23.0 °C(Predicted) |
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| Density | 1.924±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 2.54±0.10(Predicted) |
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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-P305+P351+P338 |
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Safety & Regulations
| GHS classification | WarningH302 (96.1%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | Chemical: Benzenamine, 2-iodo-Benzenamine, 2-iodo-: Does not have an individual approval but may be used under an appropriate group standard |
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| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Acute Tox. 4 (96.1%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
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