Identifiers & Physical Properties
| CAS No. | 12068-85-8 |
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| Molecular formula | FeS2 |
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| Average molar mass | 119.98 g/mol |
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| Monoisotopic mass | 119.8790795 g/mol |
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| SMILES | [Fe+2].[S-][S-] |
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| InChIKey | NIFIFKQPDTWWGU-UHFFFAOYSA-N |
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| PubChem CID | 123110 |
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| EC No. | 235-106-8 |
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| DTXSID | DTXSID801014311 |
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Chemical & Physical Properties
| Topological polar surface area | 2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 3 |
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| Formal charge | 0 |
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| Complexity | 2.8 |
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| Density | 5.2 @25 °C5.020 |
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| Melting point | 1171℃ [AES93] |
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| Solubility | insoluble in H2O |
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| Physical state | black cubic crystals |
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| Color | black cubic crystals, crystalline |
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| FDA UNII | 132N09W4PR |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 38.8% (26 of 67) of reports.DangerH317 (56.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Sens. 1 (56.7%) |
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| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
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