Identifiers & Physical Properties
| CAS No. | 170245-19-9 |
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| Molecular formula | C6H5N3 |
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| Average molar mass | 119.12 g/mol |
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| SMILES | c1c[nH]c2ncnc-2c1 |
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| InChIKey | GAMYYCRTACQSBR-UHFFFAOYSA-N |
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| ChEMBL | CHEMBL4476663 |
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| ChEBI | CHEBI:59952 |
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| EC No. | 205-987-3 |
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Chemical & Physical Properties
| XLogP | 0.3 |
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| Topological polar surface area | 41.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 104 |
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| LogP (partition coefficient) | 0.3 |
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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 | P261-P305+P351+P338 |
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Safety & Regulations
| GHS classification | WarningH302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Regulatory information | 1H-Imidazo4,5-bpyridine: 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. 4 (98.6%) |
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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 | P261-P305+P351+P338 |
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