에틸4-클로로-6-(트리플루오로메틸)-3-퀴놀린카복실레이트

Ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate

HCID 4322147CAS 193827-69-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Cl
InChIKey
NYDXGDQZPDDDMR-UHFFFAOYSA-N
분자식
C13H9ClF3NO2
평균 분자량
303.66 g/mol
단동위원소 질량
303.0273907

이름 및 식별자

우선 이름
Ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate
IUPAC
ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate
현지명
에틸4-클로로-6-(트리플루오로메틸)-3-퀴놀린카복실레이트
영어명
Ethyl 4-chloro-6-(trifluoromethyl)-3-quinolinecarboxylate
분자식
C13H9ClF3NO2
분자량
303.66

이름 및 동의어

Ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate193827-69-9MFCD00173370ethyl 4-chloro-6-(trifluoromethyl)-3-quinolinecarboxylate4-chloro-6-(trifluoromethyl)quinoline-3-carboxylic acid ethyl esterSCHEMBL649687DTXSID40401916ETHYL4-CHLORO-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATEAC5122AKOS005097192SB72414SY035690
이름 더 보기
에틸4-클로로-6-(트리플루오로메틸)-3-퀴놀린카복실레이트4-chloro-6-(trifluoromethyl)quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 4-chloro-6-(trifluoromethyl)-, ethyl ester
CS-02146326J-004EN300-185474584-chloro-3-ethoxycarbonyl-6-trifluoromethylquinolineEthyl 4-chloro-6-trifluoromethyl-quinoline-3-carboxylate4-Chloro-6-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester

데이터베이스 식별자

CAS
193827-69-9
PubChem CID
4322147
DTXSID
DTXSID40401916
EC Number
117-470-9

물성

구조 계산 물성

XLogP
3.9
극성 표면적
39.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
20

물리화학적 성질

끓는 점
338.7 · 338.7±37.0 °C(Predicted)
밀도
1.401 · 1.401±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
0.67 · 0.67±0.27(Predicted)

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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2933499090

화학 및 산업

상·하류 제품 정보

공급사21 곳

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
南京环合生物科技有限公司18605270162 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]

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