5-Nitro-1,10-phenanthrolin

5-Nitro-1,10-phenanthroline

HCID 72790CAS 4199-88-6

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cc2cccnc2c2ncccc12
InChIKey: PDDBTWXLNJNICS-UHFFFAOYSA-N
Summenformel: C12H7N3O2
Durchschnittliche Molmasse: 225,2 g/mol
Monoisotopische Masse: 225,05382648

Namen und Bezeichner

Bevorzugter Name: 5-Nitro-1,10-phenanthroline
IUPAC: 5-nitro-1,10-phenanthroline
Lokaler Name: 5-Nitro-1,10-phenanthrolin
Englischer Name: 5-Nitro-1,10-phenanthroline
Summenformel: C12H7N3O2
Molmasse: 225.2

Namen und Synonyme

5-Nitro-1,10-phenanthroline4199-88-61,10-Phenanthroline, 5-nitro-DTXSID7063346RefChem:410362DTXCID4040006224-097-6MFCD00004981NSC42635-Nitro-1, 10-diazaphenanthrene5-NPNSC 4263

Weitere Namen anzeigen

5-Nitro-1TIMTEC-BB SBB0088505-nitro-10-phenanthroline5-Nitro-1,10-phenthroline5-Nitro-1,10-phenathroline5-Nitro-1,10-phenanthroline>

MLS0007365065-Nitro-1,10-diazaphenanthreneAKOS003368622PD15853010.14272/PDDBTWXLNJNICS-UHFFFAOYSA-N.15-nitropyridino[3,2-h]quinolineNitroferroinAMY23551

Datenbank-Bezeichner

CAS: 4199-88-6
PubChem CID: 72790
DTXSID: DTXSID7063346
ChEMBL: CHEMBL101815
ChEBI: CHEBI:201448
EC Number: 224-097-6
Nikkaji: J8.690H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 71,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 17
Formalladung: 0
Komplexität: 305

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 202 · 202-204 °C(lit.)
Siedepunkt: 366.71 °C · 366.71°C (rough estimate)
Dichte: 1.2844 · 1.2844 (rough estimate)
Brechungsindex: 1.57 · 1.5700 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Alcohol,Benzene
pka: 1 · pK1:3.232(+1) (25°C)
Aggregatzustand: crystalline
Farbe: yellow to orange
Biologische Quelle: synthetic
Wasserlöslichkeit: insoluble
BRN: 196245 · 196245
InChI: InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
InChIKey: PDDBTWXLNJNICS-UHFFFAOYSA-N
SMILES: N1C2C(=C([N+]([O-])=O)C=C3C=2N=CC=C3)C=CC=1
CAS Datenbank: 4199 · 4199-88-6(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,10-Phenanthroline, 5-nitro- (4199-88-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 36/37/38-40
hazard_code: Xi,Xn
safety_code: 26-36-24/25-22
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,10-Phenanthroline, 5-nitro-: ACTIVE

Anwendungen

Verwenden5-Nitro-1,10-phenanthroline complexes of iron find wide applications in redox titrations. It is used as a precursor for the synthesis of 5-amino-1,10-phenanthroline, 5-isothiocyanato-1,10-phenanthroline.