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2,2'-Dithiobis-benzolamin
2-AMINOPHENYL DISULFIDE · 2,2'-dithiodianiline · 2,2'-disulfanediyldianiline · BIS(2-AMINOPHENYL) DISULFIDE · 2,2'-DIAMINODIPHENYL DISULFIDE · Bis(2-Aminophenyl)Disulide · Bis(o-ami · Intramine
Identifikatoren & physikalische Daten
| CAS No. | 1141-88-4 |
|---|---|
| Summenformel | C12H12N2S2 |
| Durchschnittliche Molmasse | 248,4 g/mol |
| Monoisotopische Masse | 248,04419038 g/mol |
| SMILES | Nc1ccccc1SSc1ccccc1N |
| InChIKey | YYYOQURZQWIILK-UHFFFAOYSA-N |
| PubChem CID | 14358 |
| ChEMBL | CHEMBL122355 |
| EC No. | 214-529-1 |
| DTXSID | DTXSID2061561 |
| Lokaler Name | 2,2'-Dithiobis-benzolamin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 103 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 191 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 91-92 °C(lit.) |
| Siedepunkt | 398.0±27.0 °C(Predicted) |
| Dichte | 1.2716 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in hot methanol- almost transparent. |
| pKa (Säurekonstante) | 2.81±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | Light yellow to Amber to Dark green |
| BRN | 914032 |
| InChI | InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2 |
| InChIKey | YYYOQURZQWIILK-UHFFFAOYSA-N |
| SMILES | S(C1=CC=CC=C1N)SC1=CC=CC=C1N |
| CAS Datenbank | 1141-88-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2,2'-dithiobis-(1141-88-4) |
| EPA chemische Informationen | Benzenamine, 2,2'-dithiobis- (1141-88-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (56.8%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 95 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2,2'-dithiobis-Status: Active Update: 18-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24260 |
| Hazard Classes and Categories | Acute Tox. 3 (56.8%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all |
| Zollcode | 29309090 |
| RTECS-Nr. | BX9540000 |
| R-Sätze (R) | 41-50/53-25 |
| Toxizität | mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689, |
| Gefahrensymbole | Xi,N,T |
| Sicherheitshinweise (S) | 26-39-61-60-45 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
2,2'-Diaminodiphenyl disulfide, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as a primary and secondary intermediate.