1,2,3,4-Tetrahydroquinoline (HCID 69460)

概要

1,2,3,4-tetrahydroquinoline is a member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline.

名称と識別子

優先名称: 1,2,3,4-Tetrahydroquinoline
IUPAC: 1,2,3,4-tetrahydroquinoline
現地名: 1,2,3,4-テトラヒドロキノリン
英語名: 1,2,3,4-Tetrahydroquinoline
分子式: C9H11N
分子量: 133.19

名称と別名

1,2,3,4-Tetrahydroquinoline635-46-1KusolQuinoline, 1,2,3,4-tetrahydro-CCR50N1Z9GNSC-15311DTXSID8060903CHEBI:213323RefChem:71328DTXCID3043940211-237-61,2,3,4-Hydroquinoline

名称をさらに表示

1,2,3,4-テトラヒドロキノリンPy-テトラヒドロキノリン1,2,3,4‐テトラヒドロキノリンTetrahydroquinoline200g200G/1KG/5KG1-AZATETRALINAURORA KA-684AKOS BBS-000035961,2,3,4-TetrahydroquPy-Tetrahydroquinoline

1,2,3,4-Tetrahydro-quinolineMFCD000066931,2,3,4-tetrahydro quinolineUNII-CCR50N1Z9G1,2,3,4-Tetrahydrochinoline1,3,4-Tetrahydroquinoline3,4-dihydro-2H-quinolineAKOS000119058

データベース識別子

CAS: 635-46-1
PubChem CID: 69460
DTXSID: DTXSID8060903
ChEMBL: CHEMBL303611
ChEBI: CHEBI:213323
UNII: CCR50N1Z9G
EC Number: 211-237-6
Nikkaji: J6.910H

物性

構造計算による物性

XLogP: 2.3
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 111

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesChemical shift

Vapor Pressure0.04 [mmHg]

Physical DescriptionYellow liquid; [MSDSonline]

物理化学的性質

融点: 9 · 9-14 °C (lit.)
沸点: 113 · 113-117 °C/10 mmHg (lit.) 249 °C (lit.)
比重(密度): 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.593(lit.)
闪点: 213 °F · 213 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 液体
酸解離定数(Pka): 5.09 · 5.09±0.20(Predicted)
色: 澄んだ淡い黄色～黄色
PH: 10 · 10-11 (111g/l, H2O, 20℃)(as an emulsion)
臭い (Odor): 1 %。ハクビシン · ジプロピレングリコール中1.00%。ハクビシン動物フェノール
においのタイプ: 動物
由来生物: synthetic
水溶解度: 1 g/L · <1 g/L (20 °C)
凝固点: 11 to · 11.0 to 20.0 ℃
BRN: 116149 · 116149
InChI: 1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
InChIKey: LBUJPTNKIBCYBY-UHFFFAOYSA-N
SMILES: C1CNc2ccccc2C1
LogP: 2.29 · 2.290
CAS データベース: 635 · 635-46-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · Quinoline, 1,2,3,4-tetrahydro-(635-46-1)
EPAの化学物質情報: 1 · 1,2,3,4-Tetrahydroquinoline (635-46-1)

化学的性質

化学的特性Clear pale yellow to yellow liquid. It is easily oxidized in air and may acquire a pale amber colour if exposed to air and daylight. Solidifies in the cold.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 13.4% (11 of 82) of reports.

Warning

H315 (76.8%): 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 82 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Quinoline, 1,2,3,4-tetrahydro-

Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27183

Quinoline, 1,2,3,4-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A skin and respiratory tract irritant; May be absorbed through the skin; [MSDSonline] May be toxic to the CNS, cornea, retina, and optic nerve; May be absorbed by skin contact; Quinoline causes liver injury and liver cancer in animal experiments; See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (76.8%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29334990
risk_code: 36/37/38-45
消防法: 危-4-3-III
hazard_code: Xi,T
safety_code: 26-36/37-36-45-53
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-: ACTIVE

応用分野

解説C9H11N(133.19)．1,2,3,4-テトラヒドロキノリンは，キノリンをニッケル触媒を用いて水素添加すると得られる．"無色の液体．沸点248 ℃．nD24"1.5933．dD24"1.0546．5,6,7,8-テトラヒドロキノリンは，シクロヘキサノンオキシムのアリールエーテルをN-オキシドに異性化させ，ついで脱水環化させると得られる．無色の液体．沸点222 ℃．d420"1.0546．nD24"1.5933．森北出版「化学辞典（第2版）

使用1,2,3,4-Tetrahydroquinoline is a reagent used in the synthesis of N-substituted benzoyl-1,2,3,4-tetrahydroquinolyl-1-carboxamides displaying fungicidal activity.