4-Chloro-2-(trifluoromethyl)quinoline

HCID 2736709CAS 1701-24-2

기본 정보

표준 SMILES: FC(F)(F)c1cc(Cl)c2ccccc2n1
InChIKey: ONNDFDQMHCNEGF-UHFFFAOYSA-N
분자식: C10H5ClF3N
평균 분자량: 231.6 g/mol
단동위원소 질량: 231.0062615

이름 및 식별자

우선 이름: 4-Chloro-2-(trifluoromethyl)quinoline
IUPAC: 4-chloro-2-(trifluoromethyl)quinoline
영어명: 4-Chloro-2-(trifluoromethyl)quinoline
분자식: C10H5ClF3N
분자량: 231.6

이름 및 동의어

4-Chloro-2-(trifluoromethyl)quinoline1701-24-2DTXSID40371544RefChem:291479DTXCID60322578625-773-74-chloro-2-trifluoromethylquinoline2-Trifluoromethyl-4-chloroquinolineQuinoline, 4-chloro-2-(trifluoromethyl)-MFCD00153105buttpark 29\04-054-chloro-2-(trifluoromethyl)quinoline97%

이름 더 보기

JR-8171, 4-Chloro-2-(trifluoromethyl)quinoline, 97%4-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE ISO 9001：2015 REACH

4-chloro-2-(trifluoromethyl)quinoline 97%SCHEMBL693400SCHEMBL693661SCHEMBL942027SCHEMBL163542054-chloro-2-trifluoromethyl quinolineSBB097811AKOS009127774

데이터베이스 식별자

CAS: 1701-24-2
PubChem CID: 2736709
DTXSID: DTXSID40371544
EC Number: 625-773-7
Nikkaji: J2.289.085I

물성

구조 계산 물성

XLogP: 4
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 231

물리화학적 성질

녹는점: 34 · 34-38 °C
끓는 점: 236.4 · 236.4±35.0 °C(Predicted)
밀도: 1.427 · 1.427±0.06 g/cm3(Predicted)
인화점: 225 °C · 225°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): -1.19 · -1.19±0.50(Predicted)
색상: White or Colorless to Almost white or Almost colorless
InChI: 1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKey: ONNDFDQMHCNEGF-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(Cl)c2ccccc2n1

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.