홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

6-Chloroquinoline

HCID 69163
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
612-57-7
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

6-Chloroquinoline612-57-7Quinoline, 6-chloro-CCRIS 3981UNII-K4A4BAU5SEK4A4BAU5SENSC 4682EINECS 210-314-1NSC-4682Quinoline, 6-chloro-,CHLOROQUINOLINE, 6-DTXSID3060611
이름 더 보기
AKOS 1006-chloro-quinolin6- chlorinequinoline6-Chloroquinoline,99%6-Chloroquinoline >6-CHLOROQUINOLINE ISO 9001:2015 REACH
RefChem:104456DTXCID7042984210-314-1GKJSZXGYFJBYRQ-UHFFFAOYSA-NInChI=1/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6MFCD000240246-chloro-quinolineNSC4682

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

SpringerMaterials PropertiesCrystal structure
LogP2.73

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)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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 7 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
tsca
TSCA listed
HS 번호
2933490090
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

General Manufacturing InformationQuinoline, 6-chloro-: INACTIVE
응용 분야 · 3건

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 · 1건

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

6-Nitroquinoline6-히드록시퀴노린3-Bromo-2,6-dichloro-quinoline

관련 반응

1,268건
반응 기록 만들기
HRID 342883 반응식
HRID 342883반응물로uspto-grants-1999_01
HRID 666687 반응식
HRID 666687반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 720411 반응식
HRID 720411반응물로uspto-grants-2006_11
HRID 720413 반응식
HRID 720413반응물로uspto-grants-2006_11
HRID 917675 반응식
HRID 917675반응물로uspto-grants-2007_09
HRID 939818 반응식
HRID 939818반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1099729 반응식
HRID 1099729반응물로Rapid material-sparing screening of 5760 Suzuki-Miyaura coupling reactions
HRID 1099730 반응식
HRID 1099730반응물로Rapid material-sparing screening of 5760 Suzuki-Miyaura coupling reactions
1 / 159 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
EPA
6 · Quinoline, 6-chloro- (612-57-7)

화학적 성질

beige to brown crystals

6-페닐퀴놀린