CAS 16567-18-3 8-Bromoquinoline (HCID 140109)

이름 및 식별자

우선 이름: 8-Bromoquinoline
IUPAC: 8-bromoquinoline
영어명: 8-Bromoquinoline
분자식: C9H6BrN
분자량: 208.05

이름 및 동의어

8-BromoquinolineRefChem:547864630-629-116567-18-3Quinoline, 8-bromo-8-Bromo-quinolineMFCD001918598-Bromoquinoline #8-Bromoquinoline, 98%SCHEMBL196509SCHEMBL1926970SCHEMBL6312154

이름 더 보기

8-BromoquinoL8-BROMOQUIOLINE8-BroMoquinolline8-bromooquinolineRARECHEM AK ML 01468-Bromoquinoline,98%8-Bromoquinoline,96%8-Bromoquinoline ,97%

SCHEMBL10476670SCHEMBL27167448SCHEMBL29022899DTXSID10168009SBB054586AKOS001476139AB04626AC-1231

데이터베이스 식별자

CAS: 16567-18-3
PubChem CID: 140109
DTXSID: DTXSID10168009
EC Number: 630-629-1
Nikkaji: J903.987B

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 58 · 58-59 °C
끓는 점: 112 · 112-113 °C/0.5 mmHg (lit.)
밀도: 1.594 g/mL · 1.594 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.672(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 2.33 · 2.33±0.17(Predicted)
Specific Gravity: 1.594 · 1.594
색상: 투명한 노란색에서 황갈색까지
InChI: InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey: PIWNKSHCLTZKSZ-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2Br)C=CC=1
NIST: 8 · Quinoline, 8-bromo-(16567-18-3)

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 49 reports by companies from 9 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: 26-36-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도8-Bromoquinoline may be used in the following studies:Synthesis of 8-(dimesitylboryl)quinolone (ambiphilic molecule).Direct synthesis of 5H-pyrido[3,2,1-ij]quinolin-3-one, via palladium catalyzed coupling reaction with acrolein.Preparation of 8-(1-hydroxyethyl)quinolone.Preparation of 8-quinolylcyclopentadienyl metal complexes, via reaction with zincated cyclopentadienyl derivatives of Fe, Mn and Re in the presence of bis(triphenylphosphine)palladium(0).Synthesis of n,n′-biquinolines by a coupling reaction using tris(triphenylphosphine)nickel(0) and a zerovalent pyridine-nickel complex.

일반 설명8-Bromoquinoline is a quinolone derivative. It is widely employed for the synthesis of dyes, food colors, pharmaceutical reagents, pH indicators and in various industrial processes. Its molecule bears a pyridyl group. It undergoes direct heteroarylation reaction with various heteroaromatic compounds in the presence of a palladium catalyst to afford polyheteroaromatic derivatives.