2-Methyl-8-hydroxyquinoline (HCID 13224)

개요

2-Methylquinolin-8-ol is a hydroxyquinoline.

이름 및 식별자

우선 이름: 2-Methyl-8-hydroxyquinoline
IUPAC: 2-methylquinolin-8-ol
영어명: 8-Hydroxyquinaldine
분자식: C10H9NO
분자량: 159.18

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: 71 · 71-73 °C(lit.)
끓는 점: 267 °C · 267 °C(lit.)
밀도: 1.1202 · 1.1202 (rough estimate)
굴절률: 1.607 · 1.6070 (estimate)
인화점: 139 °C · 139°C
저장 조건: 30 °C · Store below +30°C.
용해도: 0.4 g/L · 0.4g/L
물리적 상태: 결정성 분말
산도 계수 (pKa): 1 · pK1:5.55(+1);pK2:10.31(0) (25°C)
색상: 베이지에서 브라운까지
수소이온지수(pH): 7 · 7-8 (100g/l, H2O, 20℃)(slurry)
수용성: 불용성
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
NIST: 8 · 8-Quinolinol, 2-methyl-(826-81-3)
EPA: 8 · 8-Quinolinol, 2-methyl- (826-81-3)

화학적 성질

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.99 [mg/m3]

11 [mg/m3]

66 [mg/m3]

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: VC7920000
ridadr: UN 3077 9/PG 3
HS 번호: 29334990
risk_code: 50/53-36/37/38
hazard_code: N,Xi
safety_code: 60-61-24/25-36-26
포장분류: III
위험 등급: 9
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야

용도8-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.

일반 설명2-Methyl-8-quinolinol is a methyl substituted quinolinol derivative that shows fungicidal property. It can also undergo complexation with transition metal complexes.

제조 방법 · 1건

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.