Grundinformationen
- CAS
1528-74-1- Standard-SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
BDLNCFCZHNKBGI-UHFFFAOYSA-N- Summenformel
- C12H8N2O4
- Durchschnittliche Molmasse
- 244,2 g/mol
- Monoisotopische Masse
- 244,04840674
Überblick
structure
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Dinitro-1,1'-biphenyl
- IUPAC
- 1-nitro-4-(4-nitrophenyl)benzene
- Lokaler Name
- 4,4'-Dinitrobiphenyl
- Englischer Name
- 4,4'-DINITROBIPHENYL
- Summenformel
- C12H8N2O4
- Molmasse
- 244.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1528-74-1- PubChem CID
- 15216
- DTXSID
DTXSID4061757- ChEMBL
CHEMBL73297- UNII
- 6X8N704C9U
- EC Number
- 216-210-2
- Nikkaji
- J7.752F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 91,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 275
Experimentelle und physikochemische Eigenschaften
Other Experimental Properties
UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 2,4'-dinitro/
UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,3'-dinitro/
UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,4'dinitro/
Physikochemische Eigenschaften
- Schmelzpunkt
- 242 °C · 242°C
- Siedepunkt
- 387.12 °C · 387.12°C (rough estimate)
- Dichte
- 1.3468 · 1.3468 (rough estimate)
- Brechungsindex
- 1.636 · 1.6360 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Orange to Green
- CAS Datenbank
- 1528 · 1528-74-1(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,1'-Biphenyl, 4,4'-dinitro- (1528-74-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Toxikologische Informationen
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2904.20.4500
- RTECS-Nr.
- DV4000000
- risk_code
- 20/21/22
- safety_code
- 22-36/37/39
- Giftige Stoffe Daten
- 1528-74-1(Hazardous Substances Data)
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
FOLLOWING THE ORAL OR IP ADMIN OF 4,4'-DINITROBIPHENYL TO GUINEA PIGS, 4,4'-DIACETYLBENZIDINE (4,4'-DIACETYLAMINOBIPHENYL) WAS EXCRETED IN THE URINE. THE METABOLISM OF 4,4'-DINITROBIPHENYL IN THE RAT WAS CONSIDERABLY SLOWER THAN IN THE GUINEA PIG. 3-CHLORO-4-AMINO-4'-NITROBIPHENYL & 3-CHLORO-4-ACETAMIDO-4'-NITROBIPHENYL WERE FOUND IN THE URINE OF RATS BUT NOT OF GUINEA PIGS. APPARENTLY, IN THE RAT HALOGENATION OCCURS IN A METABOLIC PATHWAY FOR THE METABOLITES OF 4,4'-DINITROBIPHENYL, 4-AMINO-4'-NITROBIPHENYL & 4-ACETAMIDO-4'-NITROBIPHENYL.
Verwendung und Herstellung
Anwendungen
Verwendensteroid hormone precursor
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