Grundinformationen
- Standard-SMILES
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1- InChIKey
ZHMIOPLMFZVSHY-UHFFFAOYSA-N- Summenformel
- C26H20N2O2S2
- Durchschnittliche Molmasse
- 456,6 g/mol
- Monoisotopische Masse
- 456,09661988
Namen und Bezeichner
- Bevorzugter Name
- 2,2'-Dibenzoylaminodiphenyl disulfide
- IUPAC
- N-[2-[(2-benzamidophenyl)disulfanyl]phenyl]benzamide
- Lokaler Name
- N,N'-Dithiodi-o-phenylendibenzamid
- Englischer Name
- 2,2'-Dithiobisbenzanilide
- Summenformel
- C26H20N2O2S2
- Molmasse
- 456.58
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
135-57-9- PubChem CID
- 67271
- DTXSID
DTXSID7041629- ChEMBL
CHEMBL118148- UNII
- 10X28GH3DL
- EC Number
- 205-201-9
- Nikkaji
- J45.508C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 109 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 553
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 143 · 143-146°C
- Siedepunkt
- 489.8 · 489.8±30.0 °C(Predicted)
- Dichte
- 1.1875 · 1.1875 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.636 · 1.6360 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- Aggregatzustand
- Solid
- pka
- 12.54 · 12.54±0.70(Predicted)
- Farbe
- Pale Green to Light Green
- Wasserlöslichkeit
- 48 μg/L · 48μg/L at 20℃
- BRN
- 721443 · 721443
- LogP
- 4 at · 4 at 20℃
- CAS Datenbank
- 135 · 135-57-9(CAS DataBase Reference)
- EPA chemische Informationen
- Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- (135-57-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (96.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzamide, N,N'-(dithiodi-2,1-phenylene)bis-
Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N,N'-dithiodi-o-phenylenedibenzamide (EC: 205-201-9)
Benzamide, N,N'-(dithiodi-2,1-phenylene)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2930.90.2900
- RTECS-Nr.
- CV8700000
- risk_code
- 36/37/38
- Toxizität
- eye-rbt 500 mg/24H MLD 85JCAE -,1007,86
- safety_code
- 26-36/37/39
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Synthetic Rubber Manufacturing
Benzamide, N,N'-(dithiodi-2,1-phenylene)bis-: ACTIVE
Anwendungen
Verwenden2,2''-Dithiobisbenzanilide has biological applications. It has been used as peptizing agent for rubber.
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