4-클로로-7-트리플루오로메틸퀴놀린-3-카르복실산에틸에스테르

Ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate

HCID 14515676

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21168-42-3
표준 SMILES: CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Cl
InChIKey: SKBIFKCXMGRLLK-UHFFFAOYSA-N
분자식: C13H9ClF3NO2
평균 분자량: 303.66 g/mol
단동위원소 질량: 303.0273907

이름 및 식별자

우선 이름: Ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate
IUPAC: ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate
현지명: 4-클로로-7-트리플루오로메틸퀴놀린-3-카르복실산에틸에스테르
영어명: 4-CHLORO-7-TRIFLUOROMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
분자식: C13H9ClF3NO2
분자량: 303.66

이름 및 동의어

21168-42-3Ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylateDTXSID50561191RefChem:343911DTXCID005119694-Chloro-7-trifluoromethylquinoline-3-carboxylic acid ethyl esterMFCD07700248C13H9ClF3NO2SCHEMBL429137Ethyl 4-chloro-7-trifluoromethyl-3-quinolinecarboxylateAKOS002684128AB42135

이름 더 보기

4-클로로-7-트리플루오로메틸퀴놀린-3-카르복실산에틸에스테르ETHYL 4-CHLORO-7-TRIFLUOROMETHYL-3-CARBOXYLATE4-chloro-7-(trifluoromethyl)quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 4-chloro-7-(trifluoromethyl)-, ethyl ester

DS-6648DA-08251CS-0316347O11793F325087Ethyl4-chloro-7-(trifluoromethyl)quinoline-3-carboxylateethyl 4-chloro-7-(trifluoromethyl)-3-quinoline-carboxylate

데이터베이스 식별자

CAS: 21168-42-3
PubChem CID: 14515676
DTXSID: DTXSID50561191
EC Number: 803-217-6

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 364

물리화학적 성질

끓는 점: 338.7 · 338.7±37.0 °C(Predicted)
밀도: 1.401 · 1.401±0.06 g/cm3(Predicted)
산도 계수 (pKa): -0.58 · -0.58±0.38(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.