기본 정보
- 표준 SMILES
Clc1ccc2ncccc2c1- InChIKey
GKJSZXGYFJBYRQ-UHFFFAOYSA-N- 분자식
- C9H6ClN
- 평균 분자량
- 163.6 g/mol
- 단동위원소 질량
- 163.01887687
이름 및 식별자
- 우선 이름
- 6-Chloroquinoline
- IUPAC
- 6-chloroquinoline
- 영어명
- 6-CHLOROQUINOLINE
- 분자식
- C9H6ClN
- 분자량
- 163.6
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
612-57-7- PubChem CID
- 69163
- DTXSID
DTXSID3060611- UNII
- K4A4BAU5SE
- EC Number
- 210-314-1
- Nikkaji
- J95.375J
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 138
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 41 · 41-43 °C (lit.)
- 끓는 점
- 126 · 126-127 °C/10 mmHg (lit.)
- 밀도
- 1.2108 · 1.2108 (rough estimate)
- 굴절률
- 1.611 · 1.6110 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to lump
- 산도 계수 (pKa)
- 4.18 · 4.18±0.10(Predicted)
- 색상
- White to Light yellow to Light orange
- 수용성
- 물에 불용성.
- BRN
- 112963 · 112963
- InChI
- 1S/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
- InChIKey
- GKJSZXGYFJBYRQ-UHFFFAOYSA-N
- SMILES
- Clc1ccc2ncccc2c1
- NIST
- 6 · Quinoline, 6-chloro-,(612-57-7)
- EPA
- 6 · Quinoline, 6-chloro- (612-57-7)
화학적 성질
beige to brown crystals
안전 및 규제
GHS 분류
GHS Classification
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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29334900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도6-chloroquinoline is a useful research chemical.
용도6-Chloroquinoline may be used in the synthesis of 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine. It may be used as catalyst for high yield preparation of ethoxycarbonyl isothiocyanate.
일반 설명The standard molar enthalpy of formation of 6-chloroquinoline has been derived from the standard molar enthalpy of combustion and was evaluated in terms of molecular structure. Its arylation reaction with diamine derivatives of adamantanes in the presence of palladium catalyst has been reported to afford N,N′-diaryl derivatives.
제조 방법
All the reactions were carried out in a 50 mL stainless steel autoclave . A mixture of glycerol (1 g, 1 equiv.), aniline (0.58 g, 0.5 equiv.), water (2.5 mL) and W-KIT-6 (100 mg) was charged in to the autoclave simultaneously and finally heated to 200 °C with stirring for 3 h. On completion of the reaction (monitored by TLC), the autoclave was cooled to room temperature and the catalyst was removed by filtration. Ethyl acetate (10 mL) and water (5 mL) were added to the reaction mixture and stirred well for few minutes. The organic layer was dried over anhydrous Na2SO4 and the crude was purified by column chromatography using 60-120 mesh silica with ethylacetate/hexane as eluent to afford 6-chloroquinoline in good yield.
상·하류 제품 정보
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…