1,1-Diphenyl-2-picrylhydrazyl (free radical)
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Grundinformationen
- CAS
1898-66-4- Standard-SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c([N]N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1- InChIKey
HHEAADYXPMHMCT-UHFFFAOYSA-N- Summenformel
- C18H12N5O6
- Durchschnittliche Molmasse
- 394,3 g/mol
- Monoisotopische Masse
- 394,0787581
Namen und Bezeichner
- Bevorzugter Name
- 1,1-Diphenyl-2-picrylhydrazyl (free radical)
- IUPAC
- 2,2-Diphenyl-1-(2,4,6-trinitrophenyl)hydrazinyl
Namen und Synonyme
UNII-DFD3H4VGDHDFD3H4VGDHDTXSID908837681,1-Diphenyl-2-picrylhydrazyl (free radical)EINECS 217-591-8Hydrazyl, 2,2-diphenyl-1-picryl-NSC 12562NSC-12562BRN 1846081AI3-617394-15-00-01210 (Beilstein Handbook Reference)Hydrazinyl, 2,2-diphenyl-1-(2,4,6-trinitrophenyl)-
Weitere Namen anzeigen
1,1-DIPHENYL-2-PICRYLHYDRAZYL (FREE RADICAL) [MI]2,2-DIPHENYL-1-(2,4,6-TRINITROPHENYL)HYDRAZINYLRefChem:711232,2Diphenyl1picrylhydrazylN,NDiphenylN'picrylhydrazylHydrazyl, 2,2diphenyl1picryl1,1Diphenyl2picrylhydrazyl radicalDTXCID501023258
Datenbank-Bezeichner
- CAS
1898-66-4- PubChem CID
- 2735032
- DTXSID
DTXSID90883768- UNII
- DFD3H4VGDH
- EC Number
- 217-591-8
- Nikkaji
- J7.807G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 142 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 549
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionDark violet solid; [Merck Index] Powder; [Sigma-Aldrich MSDS]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Hydrazyl, 2,2-diphenyl-1-(2,4,6-trinitrophenyl)-
Hazards Summary
Intravenous LD50 (mouse) = 1.8 mg/kg; [RTECS] May cause irritation; May cause skin and respiratory sensitization; [Sigma-Aldrich MSDS] Search for (1898-66-4[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no reports of sensitization; [PubMed]
Hazard Classes and CategoriesSkin Irrit. 2 (13%)
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an analytical reagent for reducing materials; [Merck Index]
General Manufacturing InformationHydrazinyl, 2,2-diphenyl-1-(2,4,6-trinitrophenyl)-: ACTIVE
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