Identifiers & Physical Properties
| CAS No. | 41876-64-6 |
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| Molecular formula | C8H6BrCl |
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| Average molar mass | 217.49 g/mol |
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| Monoisotopic mass | 215.93414 g/mol |
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| SMILES | C=C(Cl)c1ccc(Br)cc1 |
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| InChIKey | SOXXPCUBYFHAJZ-UHFFFAOYSA-N |
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| PubChem CID | 12253233 |
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| EC No. | 823-097-9 |
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| DTXSID | DTXSID401298248 |
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Chemical & Physical Properties
| XLogP | 3.8 |
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| Topological polar surface area | 0 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 0 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 125 |
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Safety & Regulations
| GHS classification | DangerH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403, 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 | Flam. Liq. 4 (100%) |
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