1,8-Naphthyridine

HCID 136069CAS 254-60-4

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Grundinformationen

Standard-SMILES: c1cnc2ncccc2c1
InChIKey: FLBAYUMRQUHISI-UHFFFAOYSA-N
Summenformel: C8H6N2
Durchschnittliche Molmasse: 130,15 g/mol
Monoisotopische Masse: 130,05309819

Überblick

1,8-naphthyridine is a naphthyridine in which the nitrogens are situated at positions 1 and 8.

Namen und Bezeichner

Bevorzugter Name: 1,8-Naphthyridine
IUPAC: 1,8-naphthyridine
Englischer Name: 1,8-Naphthyridine
Summenformel: C8H6N2
Molmasse: 130.15

Namen und Synonyme

1,8-Naphthyridine254-60-41,8-Diazanaphthalene1,8-PyridopyridineUNII-043R04VL4MDTXSID40180052043R04VL4MCHEBI:36628RefChem:73774DTXCID50102543675-799-8FLBAYUMRQUHISI-UHFFFAOYSA-N

Weitere Namen anzeigen

1, 8 - nalidixic1,8-Naphthyridine>1,8-DIAZANAPHTHALENE1,8-NAPHTHYRIDINE 98+%1,8-Diazanaphthalene 98%1,8-Naphthyridine(6CI,7CI,8CI,9CI)

InChI=1/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6naphthyridine1,8-Diazanapthalene[1,8]NaphthyridinenapyMFCD00059751Pyrido[2,3-b]pyridineSCHEMBL8193

Datenbank-Bezeichner

CAS: 254-60-4
PubChem CID: 136069
DTXSID: DTXSID40180052
ChEMBL: CHEMBL261758
ChEBI: CHEBI:36628
UNII: 043R04VL4M
EC Number: 675-799-8
Nikkaji: J100.392E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 102

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCrystal structure

Physikochemische Eigenschaften

Schmelzpunkt: 99.8 · 99.8-99.9°C
Siedepunkt: 248.9 · 248.9±13.0 °C(Predicted)
Dichte: 1.183 · 1.183±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.39 · 3.39
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
InChIKey: FLBAYUMRQUHISI-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CN=2)C=CC=1
CAS Datenbank: 254 · 254-60-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2902900000
hazard_code: Xi
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung1,8-Naphthyridine is an organic compound with the formula C8H6N2. It is the most well-studied of the six isomeric naphthyridines, a subset of diazanaphthalenes with nitrogen in the separate rings. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.

Verwenden1,8-naphthyridine (napy) and its simplest 2-methyl and 2,7-dimethyl derivatives may act as monodentate and bidentate ligands, resembling the behavior of the carboxylate ligands.