CAS 254-60-4 1,8-Naphthyridine (HCID 136069)

概要

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

名称と識別子

優先名称: 1,8-Naphthyridine
IUPAC: 1,8-naphthyridine
現地名: 1,8-ナフチリジン
英語名: 1,8-Naphthyridine
分子式: C8H6N2
分子量: 130.15

名称と別名

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

名称をさらに表示

1,8-ナフチリジンピリド[2,3-b]ピリジン1,8-ジアザナフタレン[1,8]ナフチリジン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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.5
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 102

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

物理化学的性質

融点: 99.8 · 99.8-99.9°C
沸点: 248.9 · 248.9±13.0 °C(Predicted)
比重(密度): 1.183 · 1.183±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 3.39 · 3.39
外見: powder to crystal
色: 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 データベース: 254 · 254-60-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

安全データ

wgk: WGK 3
hs_code: 2902900000
hazard_code: Xi
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明1,8-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.

使用1,8-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.

調製方法 · 1 件

純化方法Purify 1,8-naphthyridine through an Al2O3 column and elute with toluene and pet ether, evaporate the eluate, crystallise the residue from pet ether (b 60-80o), and sublime it at 80o/13mm. The picrate [15936-16-0] has m 207-208o (from EtOH), and the methiodide has m 180-181o (from EtOH). [Hawes & Wibberley J Chem Soc (C) 1564 1967, UV: Armarego Physical Methods in Heterocyclic Chemistry (Ed Katritzky, Academic Press) Vol III 134 1971, Beilstein 23 II 178, 23 III/IV 1237.]