CAS 826-81-3 2-Methyl-8-hydroxyquinoline (HCID 13224)

概要

2-Methylquinolin-8-ol is a hydroxyquinoline.

名称と識別子

優先名称: 2-Methyl-8-hydroxyquinoline
IUPAC: 2-methylquinolin-8-ol
現地名: 8-ヒドロキシキナルジン
英語名: 8-Hydroxyquinaldine
分子式: C10H9NO
分子量: 159.18

名称と別名

8-Hydroxyquinaldine826-81-32-Methyl-8-quinolinol2-Methyl-8-hydroxyquinoline8-HYDROXY-2-METHYLQUINOLINE2-Methyloxine8-Quinolinol, 2-methyl-HydroxyquinaldineNSC-585537W631H5302DTXSID3061184NSC-403349

名称をさらに表示

8-ヒドロキシキナルジン8-ヒドロキシ-2-メチルキノリン2-メチルオキシン2-メチル-8-キノリンオール2-メチル-8-キノリノール2-メチル-8-ヒドロキシキノリン2-メチルキノリン-8-オール2メチル-8-ヒドロキシキノリン8‐ヒドロキシキナルジン2-methyl-8-quinolino8-HydroxyquinaL2-Methyl-8-hydroxy

RefChem:5481318-H-2-MQ cpdDTXCID3048312212-562-62-Methylquinolin-8-ol8-Hydroxyqinaldine2-Methyl-quinolin-8-ol2-Methyl-oxine

データベース識別子

CAS: 826-81-3
PubChem CID: 13224
DTXSID: DTXSID3061184
ChEMBL: CHEMBL316892
ChEBI: CHEBI:180510
UNII: 7W631H5302
EC Number: 212-562-6
Nikkaji: J3.333B

物性

構造計算による物性

XLogP: 2.3
極性表面積: 33.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
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

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesAngular frequency

Boiling Point267 °C @760 [mm Hg]

Vapor Pressure0.000105 [mmHg]

Physical DescriptionCream-colored crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 71 · 71-73 °C(lit.)
沸点: 267 °C · 267 °C(lit.)
比重(密度): 1.1202 · 1.1202 (rough estimate)
屈折率: 1.607 · 1.6070 (estimate)
闪点: 139 °C · 139°C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.4 g/l · 0.4g/l
外見: 結晶性粉末
酸解離定数(Pka): 1 · pK1:5.55(+1);pK2:10.31(0) (25°C)
色: ベージュからブラウン
PH: 7 · 7-8 (100g/l, H2O, 20℃)(slurry)
水溶解度: 不溶性
BRN: 119194 · 119194
InChI: 1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
InChIKey: NBYLBWHHTUWMER-UHFFFAOYSA-N
SMILES: Cc1ccc2cccc(O)c2n1
CAS データベース: 826 · 826-81-3(CAS DataBase Reference)
NISTの化学物質情報: 8 · 8-Quinolinol, 2-methyl-(826-81-3)
EPAの化学物質情報: 8 · 8-Quinolinol, 2-methyl- (826-81-3)

化学的性質

化学的特性beige to brown crystalline powder. Soluble in hot alcohol, ether and benzene, insoluble in water. Can volatilize with water vapor and sublimate at 100℃. With phenol odor.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (56.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 185 reports by companies from 11 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

Status: Active Update: 07-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26370

2-Methyl-8-quinolinol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral LD50 (rat) = 2,125-2,250mg/kg; An irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Sens. 1 (56.2%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

0.99 [mg/m3]

11 [mg/m3]

66 [mg/m3]

安全データ

wgk: 2
tsca: TSCA listed
rtecs: VC7920000
ridadr: UN 3077 9/PG 3
hs_code: 29334990
risk_code: 50/53-36/37/38
化審法: (5)-808
hazard_code: N,Xi
hazard_note: Irritant
safety_code: 60-61-24/25-36-26
hazard_class: 9
packing_group: III
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesUsed in high performance adhesives for the electronics industry; Formulated products are pre-packaged and used in automated equipment; [ExPub: EPA TSCATS]

General Manufacturing Information8-Quinolinol, 2-methyl-: ACTIVE

応用分野 · 3 件

用途金属の検出、比色定量用(Cuなど)。

使用8-Hydroxyquinaldine is mainly used as metal ion extractant and metal ion determination, also used in the synthesis of dyes and pigments and the preparation of pharmaceutical intermediates.

一般的な説明2-Methyl-8-quinolinol is a methyl substituted quinolinol derivative that shows fungicidal property. It can also undergo complexation with transition metal complexes.

調製方法 · 2 件

製造方法8-hydroxyquinaldine is obtained from the reaction of 2-aminophenol with crotonaldehyde. Mix 2-aminophenol and 2-Nitrophenol homogeneously and add hydrochloric acid. Add crotonaldehyde under stirring. Heat for 6h and leave overnight. Distill the reacted o-nitrophenol by water distillation, and add sodium hydroxide solution to the residual solution to make it weakly basic. Then add powdered carbonyls for saturation, and distill 8-Hydroxyquinaldine by water distillation, and then distill the crude product under reduced pressure and recrystallize it with ethanol to obtain 8-hydroxyquinaldine.

純化方法Crystallise the quinoline from EtOH or aqueous EtOH. Its solubility at 20o in H2O is 0.366g/L, and in CHCl3 it is 466g/L. It complexes with many metals. [Beilstein 21 H 106, 21 III/IV 2132.]