6-broMo-4-히드록시퀴놀린-2(1H)-온

6-Bromo-4-hydroxyquinolin-2(1H)-one

HCID 54689446

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54675-23-9
표준 SMILES: O=c1cc(O)c2cc(Br)ccc2[nH]1
InChIKey: DQFPMEMMMGZBKU-UHFFFAOYSA-N
분자식: C9H6BrNO2
평균 분자량: 240.05 g/mol
단동위원소 질량: 238.95819

이름 및 식별자

우선 이름: 6-Bromo-4-hydroxyquinolin-2(1H)-one
IUPAC: 6-bromo-4-hydroxy-1H-quinolin-2-one
현지명: 6-broMo-4-히드록시퀴놀린-2(1H)-온
영어명: 6-broMo-4-hydroxyquinolin-2(1H)-one
분자식: C9H6BrNO2
분자량: 240.05

이름 및 동의어

6-BROMO-4-HYDROXYQUINOLIN-2(1H)-ONE54675-23-96-Bromo-4-hydroxy-1H-quinolin-2-oneDTXSID30715837RefChem:104308DTXCID406665836-Bromo-2-hydroxyquinolin-4(1H)-one2254506-51-72(1H)-Quinolinone, 6-bromo-4-hydroxy-6-bromoquinoline-2,4-diolMFCD118475886-bromo-4-hydroxy-1,2-dihydroquinolin-2-one

이름 더 보기

6-broMo-4-히드록시퀴놀린-2(1H)-온6-Bromo-4-Hydroxyquinolone6-Bromo-4-hydroxycarbostyril5-HYDROXYETHANESULPHONICACID6-Bromo-4-hydroxyquinolin-2(1H)6-broMo-4-hydroxy-291H)-quinolinone

6-bromo-2-hydroxy-1H-quinolin-4-one6-bromo-4-hydroxy-2(1H)-quinolinoneMFCD294723814-Hydroxy-6-brom-carbostyrilorb3022910SCHEMBL6089328SCHEMBL21979963TPL0084

데이터베이스 식별자

CAS: 54675-23-9
PubChem CID: 54689446
DTXSID: DTXSID30715837
EC Number: 889-490-2
Nikkaji: J1.571.105A

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 264

물리화학적 성질

녹는점: 211 · 211-212 °C
끓는 점: 451.3 · 451.3±45.0 °C(Predicted)
밀도: 1.801 · 1.801±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.5 · 4.50±1.00(Predicted)
InChI: InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
InChIKey: DQFPMEMMMGZBKU-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C(O)=CC1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933499090

화학 및 산업

응용 분야

용도6-broMo-4-hydroxyquinolin-2(1H)-one can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.