Grundinformationen
- Standard-SMILES
O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-]- InChIKey
NXCKJENHTITELM-UHFFFAOYSA-N- Summenformel
- C12H8N2O4S2
- Durchschnittliche Molmasse
- 308,3 g/mol
- Monoisotopische Masse
- 307,99254874
Namen und Bezeichner
- Bevorzugter Name
- Disulfide, bis(2-nitrophenyl)
- IUPAC
- 1-nitro-2-[(2-nitrophenyl)disulfanyl]benzene
- Lokaler Name
- Bis(2-nitrophenyl)disulfid
- Englischer Name
- Bis(2-nitrophenyl) disulfide
- Summenformel
- C12H8N2O4S2
- Molmasse
- 308.33
Namen und Synonyme
Bis(2-nitrophenyl) disulfide1155-00-6Disulfide, bis(2-nitrophenyl)o-Nitrophenyl disulfide2,2'-Dinitrodiphenyl disulfideBis(o-nitrophenyl) disulfideDisulfide, bis(o-nitrophenyl)o,o'-Dinitrodiphenyl disulfideNSC 203Bis(2-nitrophenyl) disulphideEINECS 214-581-5AI3-08905
Weitere Namen anzeigen
NSC 6461262,2'-DinitroBis(2-nitrophenyl) dO-NITROPHENYLDISULFIDEDI-2-NITROPHENYL DISULFIDEO-DINITRODIPHENYL DISULFIDEBis(2-nitropheny1)disulfide2-NITROPHENYL DISULFIDE 95%
DTXSID1061572RefChem:589798DTXCID7033369Disulfide, bis(o-nitrophenyl) (8CI)214-581-52-Nitrophenyl Disulfide1,2-bis(2-nitrophenyl)disulfane1-Nitro-2-[(2-nitrophenyl)disulfanyl]benzene
Datenbank-Bezeichner
- CAS
1155-00-6- PubChem CID
- 70861
- DTXSID
DTXSID1061572- ChEMBL
CHEMBL121560- UNII
- V96F666S32
- EC Number
- 214-581-5
- Nikkaji
- J60.269H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 142 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 324
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesCrystal structure
LogP3.37
Physikochemische Eigenschaften
- Schmelzpunkt
- 194 · 194-197 °C (lit.)
- Siedepunkt
- 441.9 · 441.9±30.0 °C(Predicted)
- Dichte
- 1.62 g/cm3 · 1.62 g/cm3 (-123.16℃)
- Brechungsindex
- 1.651 · 1.6510 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- Light yellow to Brown
- BRN
- 1016770 · 1016770
- InChI
- 1S/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H
- InChIKey
- NXCKJENHTITELM-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccccc1SSc2ccccc2[N+]([O-])=O
- CAS Datenbank
- 1155 · 1155-00-6(CAS DataBase Reference)
- NIST chemische Informationen
- Bis(o-nitrophenyl)disulfide(1155-00-6)
- EPA chemische Informationen
- Disulfide, bis(2-nitrophenyl) (1155-00-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309099
- safety_code
- 22-24/25
- Speicherklasse
- 4.1A - Other explosive hazardous materials
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationDisulfide, bis(2-nitrophenyl): INACTIVE
Anwendungen
BeschreibungDas Bis-(2-nitrophenyl)-disulfid bildet gelbe, wasserunlösliche Kristalle. Die Substanz besitzt nur wissenschaftliches Interesse.
VerwendenBis(o-Nitrophenyl) Disulfide, can be used in a PVC membrane electrode as a sensor for zinc ions. It is also a building block used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of a series of 4-Azaindole inhibitors of c-Met kinase.
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