Identifiers & Physical Properties
| CAS No. | 918903-42-1 |
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| Molecular formula | C7H7N3 |
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| Average molar mass | 133.15 g/mol |
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| SMILES | Nc1ccc2n[nH]cc2c1 |
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| InChIKey | XBTOSRUBOXQWBO-UHFFFAOYSA-N |
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| ChEMBL | CHEMBL17551 |
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| EC No. | 242-971-5 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 54.7 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 126 |
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| LogP (partition coefficient) | 0.65 |
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| Solubility | 17.9 [ug/mL] (The mean of the results at pH 7.4) |
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| Boiling point | 204.3±23.0 °C(Predicted) |
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| Density | 1.367±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 15.63±0.30(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | 1H-Indazol-5-amine: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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