Identifikatoren & physikalische Daten
| CAS No. | 117-61-3 |
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| Summenformel | C12H12N2O6S2 |
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| Durchschnittliche Molmasse | 344,4 g/mol |
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| Monoisotopische Masse | 344,0136781 g/mol |
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| SMILES | Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 |
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| InChIKey | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
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| PubChem CID | 8337 |
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| EC No. | 204-200-0 |
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| DTXSID | DTXSID3024572 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
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| Polarare Oberfläche (TPSA) | 178 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 540 |
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| Löslichkeit | less than 1 mg/mL at 68 °F (NTP, 1992) |
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| Schmelzpunkt | 347 °F (decomposes) (NTP, 1992) |
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| Physical Description | Leaflets or prisms or light purple powder. (NTP, 1992) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 19.3% (11 of 57) of reports.WarningH315 (10.5%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12572 |
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| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
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| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound include eye irritation. |
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| Reaktive Gruppe | Sulfonates, Phosphonates, and Thiophosphonates, Organic |
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| Air and Water Reactions | Insoluble in water. |
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| Hazard Classes and Categories | Skin Irrit. 2 (10.5%) |
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| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
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| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
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| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
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| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
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