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Dianiliniumsulfat
ANILINE SULFATE · ANILINE SULPHATE · Anilinium Sulfate · Dianilinium sulfate · Aniline sulfate 98% · dianilinium sulphate · Benzenamine, sulfate · aniline sulfate salt
Identifikatoren & physikalische Daten
| CAS No. | 542-16-5 |
|---|---|
| Summenformel | C12.H16.N2.O4.S |
| Durchschnittliche Molmasse | 284,33 g/mol |
| Monoisotopische Masse | 284,08307799 g/mol |
| SMILES | Nc1ccccc1.Nc1ccccc1.O=S(=O)(O)O |
| InChIKey | FUKMEFZGEMVGLD-UHFFFAOYSA-N |
| PubChem CID | 10951 |
| EC No. | 208-805-0 |
| DTXSID | DTXSID20883433 |
| Lokaler Name | Dianiliniumsulfat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 135 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 127 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Dichte | 1.38 @25 °C |
| Physical Description | SolidDarkened by air and light[Merck Index] White odorless powder[Alfa Aesar MSDS] |
| Löslichkeit | water: soluble5%, clear, colorlessSoluble in water |
| Aggregatzustand | powder |
| Farbe | Nearly white |
| BRN | 3729533 |
| InChI | 1S/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-61-5(2,3)4/h2*1-5H,7H2(H2,1,2,3,4) |
| InChIKey | FUKMEFZGEMVGLD-UHFFFAOYSA-N |
| SMILES | OS(O)(=O)=O.Nc1ccccc1.Nc2ccccc2 |
| CAS Datenbank | 542-16-5(CAS DataBase Reference) |
| EPA chemische Informationen | Aniline sulfate (542-16-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (90.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, sulfate (2:1)Benzenamine, sulphate (2:1): Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Aniline and its salts |
| Gefahrenübersicht | May cause serious eye injury, skin sensitization, and methemoglobinemiaToxic by ingestion, inhalation, and skin absorptionProlonged or repeated exposure may cause organ injurySuspected carcinogen and mutagen[Alfa Aesar MSDS] See Aniline. See Orthanilic acid. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Lower Explosive Limit (LEL) | 13000 [ppm] |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
Anwendungen & Verwendung
Verwenden
Aniline sulfate was used as an internal standard in the stereoselective disposition of methamphetamine (MAP, a widely abused drug) study.