Identifiers & Physical Properties
| CAS No. | 682738-42-7 |
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| Molecular formula | C10H6F4N2S |
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| Average molar mass | 262.23 g/mol |
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| Monoisotopic mass | 262.01878202 g/mol |
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| SMILES | Nc1nc(-c2cc(F)cc(C(F)(F)F)c2)cs1 |
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| InChIKey | UKJQCMKGJGFQFQ-UHFFFAOYSA-N |
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| PubChem CID | 17774635 |
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| EC No. | 995-496-7 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 67.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 274 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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