5-Chloroquinoline

HCID 69458

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 635-27-8
표준 SMILES: Clc1cccc2ncccc12
InChIKey: HJSRGOVAIOPERP-UHFFFAOYSA-N
분자식: C9H6ClN
평균 분자량: 163.6 g/mol
단동위원소 질량: 163.0188769

이름 및 식별자

우선 이름: 5-Chloroquinoline
IUPAC: 5-chloroquinoline
영어명: 5-Chloroquinoline
분자식: C9H6ClN
분자량: 163.6

이름 및 동의어

5-Chloroquinoline635-27-8Quinoline, 5-chloro-CCRIS 3980DTXSID20212901RefChem:102400DTXCID10135392626-435-1HJSRGOVAIOPERP-UHFFFAOYSA-NMFCD002394135-Chloro-quinolineAKOS009156634

이름 더 보기

5-chloroquiboline5-Chloroquinoline >5-Chloroquinoline hydrochloride5-CHLOROQUINOLINE ISO 9001：2015 REACH

CS-W0025815-Chloroquinoline, >=98.0% (GC)FS-3377SB67516SY025840C2997EN300-33415BCP32571

데이터베이스 식별자

CAS: 635-27-8
PubChem CID: 69458
DTXSID: DTXSID20212901
EC Number: 626-435-1
Nikkaji: J95.374A

물성

구조 계산 물성

XLogP: 3.3
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: 28 · 28-32 °C
끓는 점: 263 °C · 263°C(lit.)
밀도: 1.2108 · 1.2108 (rough estimate)
굴절률: 1.611 · 1.6110 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름, 에틸아세테이트, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 3.88 · 3.88±0.12(Predicted)
색상: 황백색에서 노란색까지
BRN: 114722 · 114722
InChI: InChI=1S/C9H6ClN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKey: HJSRGOVAIOPERP-UHFFFAOYSA-N
SMILES: N1C2C(=C(Cl)C=CC=2)C=CC=1

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 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.