2,6-Dihydroxyquinoline

HCID 177065

기본 정보

CAS: 19315-93-6
표준 SMILES: O=c1ccc2cc(O)ccc2[nH]1
InChIKey: AQLYZDRHNHZHIS-UHFFFAOYSA-N
분자식: C9H7NO2
평균 분자량: 161.16 g/mol
단동위원소 질량: 161.04767846

개요

Quinoline-2,6-diol is a dihydroxyquinoline that is quinoline in which the hydrogens at positions 2 and 6 are replaced by hydroxy groups.

이름 및 식별자

우선 이름: 2,6-Dihydroxyquinoline
IUPAC: 6-hydroxy-1H-quinolin-2-one
영어명: 2,6-Dihydroxyquinoline
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

2,6-dihydroxyquinoline6-Hydroxy-2(1H)-quinolinoneRefChem:445585626-682-519315-93-66-hydroxyquinolin-2(1H)-onequinoline-2,6-diol2,6-Quinolinediol6-hydroxy-1H-quinolin-2-one2(1H)-Quinolinone, 6-hydroxy-6-Hydroxyquinoline-(1H)-2-one6-HYDROXYCARBOSTYRIL

이름 더 보기

QUINOLIN-6-OLAKOS 222-066-hydroquinilinoneBiotin Impurity 38TIMTEC-BB SBB0041172, 6-Hydroxy-quinoline

MFCD002394466-Hydroxyquinolin-2-one1,2-Dihydro-6-hydroxy-2-oxoquinolinequinoline2,6-diol6-hydroxy-carbostyril6-hydroxy-2-quinolone6-hydroxyquinoline-2-one9JPS252FZW

데이터베이스 식별자

CAS: 19315-93-6
PubChem CID: 177065
DTXSID: DTXSID70940989
ChEBI: CHEBI:48490
UNII: 9JPS252FZW
EC Number: 626-682-5
Nikkaji: J28.249I

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 225

물리화학적 성질

녹는점: 188 · 188-190 °C(lit.)
끓는 점: 449.4 · 449.4±45.0 °C(Predicted)
밀도: 1.337 · 1.337±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.61 · 9.61±0.20(Predicted)
색상: 미색부터 페일 베이지까지
InChI: InChI=1S/C9H7NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h1-5,11H,(H,10,12)
InChIKey: AQLYZDRHNHZHIS-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(O)C=C2)C=CC1=O

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: VC4130000
HS 번호: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Hydroxyquinoline-(1H)-2-one (cas# 19315-93-6) is a compound useful in organic synthesis.

일반 설명2,6-Quinolinediol is a substituted quinoline compound. It has been prepared starting from 6-methoxyquinoline. It has been reported to be one of the UV-absorbing compounds (UAC) found in cow milk.