2-クロロレピジン

2-Chloro-4-methylquinoline

HCID 69449CAS 634-47-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(Cl)nc2ccccc12
InChIKey: PFEIMKNQOIFKSW-UHFFFAOYSA-N
分子式: C10H8ClN
平均分子量: 177.63 g/mol
単同位体質量: 177.03452694

名称と識別子

優先名称: 2-Chloro-4-methylquinoline
IUPAC: 2-chloro-4-methylquinoline
現地名: 2-クロロレピジン
英語名: 2-Chlorolepidine
分子式: C10H8ClN
分子量: 177.63

名称と別名

2-Chloro-4-methylquinoline634-47-9Quinoline, 2-chloro-4-methyl-Lepidine, 2-chloro-EINECS 211-209-3NSC 96476DTXSID00212808RefChem:86252Lepidine, 2-chloro-(8CI)DTXCID90135299Quinoline, 2-chloro-4-methyl-(9CI)211-209-3

名称をさらに表示

2-クロロレピジン2-クロロ-4-メチルキノリン2-クロロ-4-メチルキノリン塩化物AKOS BB-6898Chlorolepidine3-chlorolepidineAKOS BBS-000002152-Chlorolepidine >OTAVA-BB BB01161100262-chloro-4-methyl-quinolin

InChI=1/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1HPFEIMKNQOIFKSW-UHFFFAOYSA-N2-Chlorolepidine2-chloro-4-methyl-quinolineMFCD000067422-chloro-4methylquinoline2U5ATH9EJR2-Chloro-4-methylquinolin

データベース識別子

CAS: 634-47-9
PubChem CID: 69449
DTXSID: DTXSID00212808
UNII: 2U5ATH9EJR
EC Number: 211-209-3
Nikkaji: J95.797F

物性

構造計算による物性

XLogP: 3.5
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 160

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 55 · 55-58 °C(lit.)
沸点: 296 °C · 296 °C(lit.)
比重(密度): 1.181 · 1.1810 (rough estimate)
屈折率: 1.6224 · 1.6224 (estimate)
闪点: 296 °C · 296°C
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 0.98 · 0.98±0.50(Predicted)
色: White to Almost white
BRN: 118333 · 118333
InChI: InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey: PFEIMKNQOIFKSW-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(C)=CC=1Cl
CAS データベース: 634 · 634-47-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Quinoline, 2-chloro-4-methyl-(634-47-9)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29334900
risk_code: 36/37/38
化審法: (5)-720
hazard_code: Xi
safety_code: 26-37/39-36-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2-Chloro-4-methyl-quinoline is a useful synthetic intermediate. It is an intermediate used to synthesize 4-Methyl-2-(1-piperidinyl)-quinoline (M320715) which is a potent inhibitor of TRPC4 channels, responsible for various stimulation, muscle response due to interaction with the environment. 2-Chloro-4-methyl-quinoline is also considered as a cyanine dye.