Identifiers & Physical Properties
| CAS No. | 6326-27-8 |
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| Molecular formula | C8H11ClN2 |
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| Average molar mass | 170.64 g/mol |
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| Monoisotopic mass | 170.06107603 g/mol |
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| SMILES | Cc1ccc(C(=N)N)cc1.Cl |
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| InChIKey | MTDUPZAXNYELOU-UHFFFAOYSA-N |
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| PubChem CID | 122753 |
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| EC No. | 672-862-1 |
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| DTXSID | DTXSID80212644 |
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Chemical & Physical Properties
| Topological polar surface area | 49.9 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 123 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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