8-퀴놀린카르복시산

8-Quinolinecarboxylic acid

HCID 66582CAS 86-59-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cccc2cccnc12
InChIKey: QRDZFPUVLYEQTA-UHFFFAOYSA-N
분자식: C10H7NO2
평균 분자량: 173.17 g/mol
단동위원소 질량: 173.04767846

개요

Water Pollutants, Chemical

이름 및 식별자

우선 이름: 8-Quinolinecarboxylic acid
IUPAC: quinoline-8-carboxylic acid
현지명: 8-퀴놀린카르복시산
영어명: 8-Quinolinecarboxylic acid
분자식: C10H7NO2
분자량: 173.17

이름 및 동의어

8-Quinolinecarboxylic acid86-59-98-CarboxyquinolineNSC-65055XW75TFD94DTXSID40235334RefChem:107347DTXCID40157825Quinoline-8-carboxylic acidMFCD000476198-quinoline carboxylic acidMLS000567372

이름 더 보기

8-퀴놀린카르복시산8-퀴놀린카복실산8-QuinolinecarboxylicAKOS BBS-00005343RARECHEM AL BE 04828-Quinolinecarboxylicaci8-quinlinecarboxylic acidQuinolin-8-carboxylic acid8-Quinolinecarboxylic Acid >

NSC6505STK3442928-QUINOLINECARBOXYLIC ACID [MI]AC-25672AC-907/25014264F0001-2147CCRIS 6956UNII-5XW75TFD94

데이터베이스 식별자

CAS: 86-59-9
PubChem CID: 66582
DTXSID: DTXSID40235334
ChEMBL: CHEMBL1427477
UNII: 5XW75TFD94
EC Number: 632-930-3
Nikkaji: J363.941J

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 183 · 183-185 °C (lit.)
끓는 점: 303.81 °C · 303.81°C (rough estimate)
밀도: 1.2427 · 1.2427 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 1.82 · 1.82(at 25℃)
물리적 상태: 결정성 분말
색상: 연한 갈색
수용성: 불용성
Merck: 14 · 14,8070
BRN: 19176 · 19176
InChI: InChI=1S/C10H7NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13)
InChIKey: QRDZFPUVLYEQTA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2C(O)=O)C=CC=1

화학적 성질

white to light yellow crystal powder

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 48 reports by companies from 8 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
HS 번호: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도8-Quinolinecarboxylic acid may be used in the synthesis of novel oxorhenium(V) complexes incorporating quinoline and isoquinoline carboxylic acid derivatives, chiral 1,2,3,4-tetrahydroquinolinyl-oxazoline compounds, used as ligands for Ru-catalyzed asymmetric transfer hydrogenation of ketones and chiral quinolinyl-oxazoline compounds, used as ligands for Cu(II) catalyzed asymmetric cyclopropanation.

일반 설명Herbicide 8-quinolinecarboxylic acid and its removal from aqueous solution using sodium montmorillonite, acidic montmorillonite and organo-acidic montmorillonite has been reported.