CAS 67805-67-8 8-Bromo-1,2-dihydroquinolin-2-one (HCID 10933094)

기본 정보

CAS: 67805-67-8
표준 SMILES: O=c1ccc2cccc(Br)c2[nH]1
InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N
분자식: C9H6BrNO
평균 분자량: 224.05 g/mol
단동위원소 질량: 222.96327591

이름 및 식별자

우선 이름: 8-Bromo-1,2-dihydroquinolin-2-one
IUPAC: 8-bromo-1H-quinolin-2-one
현지명: 8-브로모퀴놀린-2(1H)-원
영어명: 8-Bromoquinolin-2(1H)-one
분자식: C9H6BrNO
분자량: 224.05

이름 및 동의어

8-BROMO-1,2-DIHYDROQUINOLIN-2-ONERefChem:547675696-495-18-Bromoquinolin-2(1H)-one67805-67-88-bromo-1H-quinolin-2-one8-BROMO-2-HYDROXYQUINOLINE8-bromoquinolin-2-olMFCD087414098-bromoquinolin-2-one2(1H)-Quinolinone, 8-bromo-8-BROMO-2(1H)-QUINOLINONE

이름 더 보기

8-브로모퀴놀린-2(1H)-원8-BroMoquinoline-2(1h)-one8-Bromoquinolin-2(1H)-one98%8-Bromoquinolin-2(1H)-one 98%8-Bromo-1,2-dihydro-2-oxoquinoline

CHEMBL42167948-Bromocarbostyril8-Bromo8-Bromo-2-quinolone8-Bromo-2-hydroxyquinoline;8-bromo-1h-quinoline-2-oneSCHEMBL731556SCHEMBL5763166

데이터베이스 식별자

CAS: 67805-67-8
PubChem CID: 10933094
DTXSID: DTXSID30448855
ChEMBL: CHEMBL4216794
EC Number: 696-495-1
Nikkaji: J2.239.259J

물성

구조 계산 물성

XLogP: 2
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 196 · 196-198 °C
끓는 점: 390.2 · 390.2±42.0 °C(Predicted)
밀도: 1.62 · 1.620±0.06 g/cm3(Predicted)
저장 조건: Room temperature.
산도 계수 (pKa): 10.7 · 10.70±0.70(Predicted)
물리적 상태: Peachy beige fine crystalline needles
InChI: InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2Br)C=CC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933499090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도8-Bromoquinolin-2(1H)-one is an organic compound that inhibits the production of inflammatory substances in the body. It is a long-chain alkene and a synthetic substance that is used to prepare pharmaceuticals.