6-クロロキノリン

6-Chloroquinoline

HCID 69163CAS 612-57-7

基本情報

標準SMILES
Clc1ccc2ncccc2c1
InChIKey
GKJSZXGYFJBYRQ-UHFFFAOYSA-N
分子式
C9H6ClN
平均分子量
163.6 g/mol
単同位体質量
163.01887687

名称と識別子

優先名称
6-Chloroquinoline
IUPAC
6-chloroquinoline
現地名
6-クロロキノリン
英語名
6-CHLOROQUINOLINE
分子式
C9H6ClN
分子量
163.6

名称と別名

6-Chloroquinoline612-57-7Quinoline, 6-chloro-CCRIS 3981UNII-K4A4BAU5SEK4A4BAU5SENSC 4682EINECS 210-314-1NSC-4682Quinoline, 6-chloro-,CHLOROQUINOLINE, 6-DTXSID3060611
名称をさらに表示
6-クロロキノリンAKOS 1006-chloro-quinolin6- chlorinequinoline6-Chloroquinoline,99%6-Chloroquinoline >6-CHLOROQUINOLINE ISO 9001:2015 REACH
RefChem:104456DTXCID7042984210-314-1GKJSZXGYFJBYRQ-UHFFFAOYSA-NInChI=1/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6MFCD000240246-chloro-quinolineNSC4682

データベース識別子

CAS
612-57-7
PubChem CID
69163
DTXSID
DTXSID3060611
UNII
K4A4BAU5SE
EC Number
210-314-1
Nikkaji
J95.375J

物性

構造計算による物性

XLogP
2.7
極性表面積
12.9 Ų
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
11

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure
LogP2.73

物理化学的性質

融点
41 · 41-43 °C (lit.)
沸点
126 · 126-127 °C/10 mmHg (lit.)
比重(密度)
1.2108 · 1.2108 (rough estimate)
屈折率
1.611 · 1.6110 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性beige to brown crystals

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 48 reports by companies from 7 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
tsca
TSCA listed
hs_code
29334900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

化学と産業

用途と製造

General Manufacturing InformationQuinoline, 6-chloro-: INACTIVE
応用分野 · 4 件

用途有機合成原料。

使用6-chloroquinoline is a useful research chemical.

使用6-Chloroquinoline may be used in the synthesis of 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine. It may be used as catalyst for high yield preparation of ethoxycarbonyl isothiocyanate.

一般的な説明The standard molar enthalpy of formation of 6-chloroquinoline has been derived from the standard molar enthalpy of combustion and was evaluated in terms of molecular structure. Its arylation reaction with diamine derivatives of adamantanes in the presence of palladium catalyst has been reported to afford N,N′-diaryl derivatives.

調製方法 · 1 件

製造方法All the reactions were carried out in a 50 mL stainless steel autoclave . A mixture of glycerol (1 g, 1 equiv.), aniline (0.58 g, 0.5 equiv.), water (2.5 mL) and W-KIT-6 (100 mg) was charged in to the autoclave simultaneously and finally heated to 200 °C with stirring for 3 h. On completion of the reaction (monitored by TLC), the autoclave was cooled to room temperature and the catalyst was removed by filtration. Ethyl acetate (10 mL) and water (5 mL) were added to the reaction mixture and stirred well for few minutes. The organic layer was dried over anhydrous Na2SO4 and the crude was purified by column chromatography using 60-120 mesh silica with ethylacetate/hexane as eluent to afford 6-chloroquinoline in good yield.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
常州思丹德化工有限公司0519-85607885 13776800733 · [email protected]

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