6-メチルキノキサリン

6-Methylquinoxaline

HCID 242567CAS 6344-72-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc2nccnc2c1
InChIKey: OSRARURJYPOUOV-UHFFFAOYSA-N
分子式: C9H8N2
平均分子量: 144.17 g/mol
単同位体質量: 144.06874826

概要

6-Methylquinoxaline is a quinoxaline derivative.

名称と識別子

優先名称: 6-Methylquinoxaline
IUPAC: 6-methylquinoxaline
現地名: 6-メチルキノキサリン
英語名: 6-Methylquinoxaline
分子式: C9H8N2
分子量: 144.17

名称と別名

6-MethylquinoxalineQuinoxaline, 6-methyl-DTXSID00287490RefChem:105059DTXCID90238638InChI=1/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1HOSRARURJYPOUOV-UHFFFAOYSA-N6344-72-5MFCD000410016-methyl-quinoxalineNSC51327NSC-51327

名称をさらに表示

6-メチルキノキサリン6-メチルキノキサリン, 96%6-METHYLQUINOXALINE 99%6-Methylquinoxaline , 97+%

SCHEMBL27449AKOS005206833NCGC00184266-02NCGC00184266-03CS-0019265BB3L9MN4UQA15720SCHEMBL27448

データベース識別子

CAS: 6344-72-5
PubChem CID: 242567
DTXSID: DTXSID00287490
ChEMBL: CHEMBL1885120
ChEBI: CHEBI:194888
UNII: BB3L9MN4UQ
EC Number: 670-336-6
Nikkaji: J101.319J

物性

構造計算による物性

XLogP: 1.7
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: 11
形式電荷: 0
複雑度: 136

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

物理化学的性質

融点: 218.5 °C · 218.5°C
沸点: 244 · 244-245°C
比重(密度): 1.1164 · 1.1164
屈折率: 1.619 · 1.6190
闪点: 244 · 244-245°C
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 1.4 · 1.40±0.30(Predicted)
BRN: 113371 · 113371
InChI: InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3
InChIKey: OSRARURJYPOUOV-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C)=CC=2)N=CC=1
LogP: 1.872 · 1.872 (est)
CAS データベース: 6344 · 6344-72-5(CAS DataBase Reference)
NISTの化学物質情報: 6 · Quinoxaline, 6-methyl-(6344-72-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 6 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

Regulatory Information · 2 件

Chemical: Quinoxaline, 6-methyl-

Quinoxaline, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

安全データ

hs_code: 2933998090
risk_code: 22-36/37/38-34-11
hazard_code: Xn,Xi,C,F
safety_code: 23-26-36/37/39-45-16
hazard_class: IRRITANT

化学と産業

応用分野

使用6-Methylquinoxaline (CAS# 6344-72-5) can be used as a conductive roller for electrophotographic apparatus. It has also be known for its sequential synthesis, olfactory properties, and biological activity.