4-Chloro-6-fluoroquinoline

HCID 2736586CAS 391-77-5

기본 정보

표준 SMILES: Fc1ccc2nccc(Cl)c2c1
InChIKey: CKTQPWIDUQGUGG-UHFFFAOYSA-N
분자식: C9H5ClFN
평균 분자량: 181.59 g/mol
단동위원소 질량: 181.00945506

이름 및 식별자

우선 이름: 4-Chloro-6-fluoroquinoline
IUPAC: 4-chloro-6-fluoroquinoline
영어명: 4-Chloro-6-fluoroquinoline
분자식: C9H5ClFN
분자량: 181.59

이름 및 동의어

4-Chloro-6-fluoroquinoline391-77-5DTXSID60371460RefChem:291856DTXCID80322494670-383-2MFCD00278783Quinoline, 4-chloro-6-fluoro-6-fluoro-4-chloroquinolineSCHEMBL265444AKOS0026761364-chloro-6-fluoro-quinoline

이름 더 보기

EOS-62017BUTTPARK 20\09-074-Chloro-6-fluoroquinoline >4-CHLORO-6-FLUOROQUINOLINE(WX900022)4-Chloro-6-fluoroquinoline ISO 9001：2015 REACH

EN300-676824-chloranyl-6-fluoranyl-quinoline3-Isopropylisoxazole-5-4-Chloro-6-fluoroquinolinSCHEMBL7493824SCHEMBL296916954-Chloro-6-fluoroquinoline, 97%SBB079127

데이터베이스 식별자

CAS: 391-77-5
PubChem CID: 2736586
DTXSID: DTXSID60371460
EC Number: 670-383-2

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

물리화학적 성질

녹는점: 75 to · 75.0 to 79.0 °C
끓는 점: 259.9 · 259.9±20.0 °C(Predicted)
밀도: 1.366 · 1.366±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.9 · 2.90±0.16(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C9H5ClFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
InChIKey: CKTQPWIDUQGUGG-UHFFFAOYSA-N
SMILES: N1C2C(=CC(F)=CC=2)C(Cl)=CC=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.