2-Chloroquinoline (HCID 11928)

概要

structure given in first source

名称と識別子

優先名称: 2-Chloroquinoline
IUPAC: 2-chloroquinoline
現地名: 2-クロロキノリン
英語名: 2-Chloroquinoline
分子式: C9H6ClN
分子量: 163.6

名称と別名

2-Chloroquinoline612-62-4QUINOLINE, 2-CHLORO-UX7RIN8GEWNSC-6163DTXSID8060612RefChem:470528DTXCID2042985210-317-82-chloro-quinolineChloroquinolineQuinoline, chloro-

名称をさらに表示

2-クロロキノリン2‐クロロキノリン2CQ2-chloro-quinolinQuinoline2-chloro-2-Chloroquinoline,99%2-Chloroquinoline >2-Chloroquinoline, 98%+2-Chloroquinoline ,99.70%2-Chloroquinoline, 99% 5GR2-Chloroquinoline, 99% 1GR

NSC 6163chioroquinolineMFCD00006741EINECS 210-317-8AI3-089092-Chloroquinoline, 99%CHLOROQUINOLINE, 2-NSC6163

データベース識別子

CAS: 612-62-4
PubChem CID: 11928
DTXSID: DTXSID8060612
ChEMBL: CHEMBL2042580
UNII: UX7RIN8GEW
EC Number: 210-317-8
Nikkaji: J95.371G

物性

構造計算による物性

XLogP: 2.7
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: 11
形式電荷: 0
複雑度: 138

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesCrystal structure

LogP2.71

Vapor Pressure0.00508 [mmHg]

Physical DescriptionOff-white solid; mp = 34-37 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点: 34 · 34-37 °C (lit.)
沸点: 266 · 266-267 °C (lit.)
比重(密度): 1.23 g/mL · 1.23 g/mL at 25 °C (lit.)
屈折率: 1.6342 · 1.6342 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 0.1 g/mL、透明 · メタノール: 0.1 g/mL、透明
外見: 結晶性粉末、結晶および/またはチャンク、または溶融塊
酸解離定数(Pka): 0.41 · 0.41±0.40(Predicted)
色: 白から黄色
水溶解度: 不溶性
BRN: 112561 · 112561
InChI: 1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey: OFUFXTHGZWIDDB-UHFFFAOYSA-N
SMILES: Clc1ccc2ccccc2n1
CAS データベース: 612 · 612-62-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Quinoline, 2-chloro-(612-62-4)
EPAの化学物質情報: 2 · Quinoline, 2-chloro- (612-62-4)

化学的性質

化学的特性white to yellowish crystals, powder, chunks or

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 47 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

Regulatory InformationChemical: Quinoline, 2-chloro-

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: VB2320000
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationQuinoline, 2-chloro-: ACTIVE

応用分野

使用2-Chloroquinoline is an intermediate used in the synthesis of various compounds that exhibits antifungal properties.

調製方法 · 1 件

純化方法Purify it by crystallisation of its picrate to constant melting point (123-124o) from *benzene, regenerating the base and distilling it under vacuum [Cumper et al. J Chem Soc 1183 1962]. 2-Chloroquinoline can be crystallised from EtOH. Its picrate has m 123-124o (from EtOH). [Beilstein 20 H 359, 20/7 V 312.]

サプライヤー50 社

河北凡博医药科技有限公司15588346797

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [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]

2-クロロキノリン

基本情報

概要