Grundinformationen
- CAS
100-32-3- Standard-SMILES
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
KWGZRLZJBLEVFZ-UHFFFAOYSA-N- Summenformel
- C12H8N2O4S2
- Durchschnittliche Molmasse
- 308,3 g/mol
- Monoisotopische Masse
- 307,99254909
Überblick
structure
Namen und Bezeichner
- Bevorzugter Name
- Bis(4-nitrophenyl) disulfide
- IUPAC
- 1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene
- Lokaler Name
- Bis(4-nitrophenyl)disulfid
- Englischer Name
- 4,4'-Dinitrodiphenyl disulfide
- Summenformel
- C12H8N2O4S2
- Molmasse
- 308.33
Namen und Synonyme
100-32-3Bis(4-nitrophenyl) disulfide4,4'-Dinitrodiphenyl disulfideDisulfide, bis(4-nitrophenyl)p,p'-Dinitrodiphenyl disulfidep-Nitrophenyl disulfideDi-4-nitrophenyl disulfideBis(4-nitrophenyl)disulfideDi(p-nitrophenyl) disulfide4,4'-DinitrodiphenyldisulfideDISULFIDE, BIS(p-NITROPHENYL)F16G70DEUU
Weitere Namen anzeigen
NSC 4566Nsc 677446NISTC1003234,4'-Dinitro4-NITROPHENYL SULFIDEP-NITROPHENYLDISULFIDEDI(4-NITROPHENYL) DISULFIDE
NSC-4566DTXSID8059211NSC-677446RefChem:506682DTXCID4032451202-840-54-Nitrophenyl disulfide1,2-Bis(4-nitrophenyl)disulfane
Datenbank-Bezeichner
- CAS
100-32-3- PubChem CID
- 7496
- DTXSID
DTXSID8059211- ChEMBL
CHEMBL333963- UNII
- F16G70DEUU
- EC Number
- 202-840-5
- Nikkaji
- J4.004E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 142 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 308
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesCrystal structure
Physikochemische Eigenschaften
- Schmelzpunkt
- 181 to · 181.0 to 186.0 °C
- Siedepunkt
- 478.8 · 478.8±30.0 °C(Predicted)
- Dichte
- 1.5285 · 1.5285 (rough estimate)
- Brechungsindex
- 1.651 · 1.6510 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Yellow
- Stabilität
- Stable. Incompatible with strong oxidizing agents, strong bases.
- InChI
- InChI=1S/C12H8N2O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H
- InChIKey
- KWGZRLZJBLEVFZ-UHFFFAOYSA-N
- SMILES
- S(C1=CC=C([N+]([O-])=O)C=C1)SC1=CC=C([N+]([O-])=O)C=C1
- CAS Datenbank
- 100 · 100-32-3(CAS DataBase Reference)
- NIST chemische Informationen
- -4 · Di-4-nitrophenyl sulfide(100-32-3)
- EPA chemische Informationen
- Disulfide, bis(4-nitrophenyl) (100-32-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationDisulfide, bis(4-nitrophenyl): 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309090
- RTECS-Nr.
- JO1550000
- risk_code
- 20/21/22-40
- hazard_code
- Xn,Xi
- safety_code
- 36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationDisulfide, bis(4-nitrophenyl): ACTIVE
Anwendungen
VerwendenReactant or reagent involved in:• ;Electrophilic cyclization of 2-alkynylanisoles1 or alkynylanilines2• ;Oxidative chlorination to sulfonyl chlorides3• ;Arylation with triarylbismuthanes4• ;Decarboxylative cross-coupling with dialkoxybenzoic acids5• ;Disulfidation of alkenes6
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