Grundinformationen
- CAS
613-50-3- Standard-SMILES
O=[N+]([O-])c1ccc2ncccc2c1- InChIKey
SMHPLBXIVNQFBA-UHFFFAOYSA-N- Summenformel
- C9H6N2O2
- Durchschnittliche Molmasse
- 174,16 g/mol
- Monoisotopische Masse
- 174,04292743
Namen und Bezeichner
- Bevorzugter Name
- 6-Nitroquinoline
- IUPAC
- 6-nitroquinoline
- Lokaler Name
- 6-Nitrochinolin
- Englischer Name
- 6-NITROQUINOLINE
- Summenformel
- C9H6N2O2
- Molmasse
- 174.16
Namen und Synonyme
6-NitroquinolineQUINOLINE, 6-NITRO-CCRIS 456DTXSID1020984NSC 4141EINECS 210-346-6BRN 0136138AI3-08863UNII-7033583N3JNSC-4141NITROQUINOLINE, 6-DTXCID70984
Weitere Namen anzeigen
40 kg6-NitroquinoL6-Nitrochinolin6-nitro-quinolin6-NittroquinolineQuinoline,6-nitro-6-Nitroquinoline>6-Nitroquinoline98%6-Nitro Quinoline - 50g
7033583N3J5-20-07-00326 (Beilstein Handbook Reference)Quinoline, 6nitroRefChem:105096210-346-6InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6SMHPLBXIVNQFBA-UHFFFAOYSA-N613-50-3
Datenbank-Bezeichner
- CAS
613-50-3- PubChem CID
- 11945
- DTXSID
DTXSID1020984- ChEMBL
CHEMBL353078- UNII
- 7033583N3J
- EC Number
- 210-346-6
- Nikkaji
- J2.997A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 58,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 202
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials PropertiesChemical shift
Vapor Pressure0.000138 [mmHg]
Physical DescriptionOff-white powder; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 151 · 151-153 °C(lit.)
- Siedepunkt
- 305.12 °C · 305.12°C (rough estimate)
- Dichte
- 1.219 · 1.2190 (estimate)
- Brechungsindex
- 1.682 · 1.6820 (rough estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Wasserlöslichkeit
- Slightly soluble in water
- Aggregatzustand
- powder to crystal
- pka
- 3.24 · 3.24±0.10(Predicted)
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 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationQuinoline, 6-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- RTECS-Nr.
- VC1900000
- risk_code
- 20/21/22-40
- Toxizität
- mma-sat 100 mmol/plate MUREAV 58,11,78
- hazard_code
- Xn
- safety_code
- 7-22-36-45
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
Chemie und Industrie
Anwendungen
BeschreibungDas 6-Nitrochinolin bildet gelbe, wasserunlösliche Kristalle. Der Stoff besitzt nur wissenschaftliches Interesse.
Verwenden6-Nitroquinoline serves as a precursor for synthesizing 6-hydroxylaminoquinoline via reduction with hydrazine hydrate in the presence of Raney nickel. It acts as a pro-fluorescent substrate that is converted to the fluorophore 6-aminoquinoline by xanthine/xanthine oxidase under hypoxic conditions, or to 6-nitroquinolin-2(1H)-one by xanthine oxidase under aerobic conditions. The compound is also employed for the quantitative determination and removal of palladium from solution using hot saturated aqueous conditions, and its electrochemical behavior allows for detection via polarographic and voltammetric methods[3][4][5].
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