에틸2,3,4,5-테트라플루오로벤조일아세테이트

Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoate

HCID 600916CAS 94695-50-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F
InChIKey: KWDVJYLIAJHEOW-UHFFFAOYSA-N
분자식: C11H8F4O3
평균 분자량: 264.17 g/mol
단동위원소 질량: 264.040957

이름 및 식별자

우선 이름: Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoate
IUPAC: ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate
현지명: 에틸2,3,4,5-테트라플루오로벤조일아세테이트
영어명: Ethyl 2,3,4,5-tetrafluorobenzoyl acetate
분자식: C11H8F4O3
분자량: 264.17

이름 및 동의어

EC 700-167-6Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoateethyl 2,3,4,5-tetrafluoro-beta-oxobenzenepropanoateRefChem:595039700-167-694695-50-8Ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoateEthyl 2,3,4,5-tetrafluorobenzoylacetateEthyl (2,3,4,5-Tetrafluorobenzoyl)acetateethyl 3-(2,3,4,5-tetrafluorophenyl)-3-oxopropanoateMFCD005230202,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester

이름 더 보기

에틸2,3,4,5-테트라플루오로벤조일아세테이트Ethyl 2SKL919Levofloxacin-17Levofloxacin Impurity V5-tetrafluorobenzoyl acetateEthyl(2,3,4,5-tetrafluorobenzoethy-2,3,4,5-tetrafluorobenzoylacetateETHYL 2,3,4,5-TETRAFLUOROBENZOYL ACETATE2,3,4,5-Tetrafluorobenzoyl acetate ethylMethyl (2,3,4,5-Tetrafluoro-Benzoyl)Acetate

2,3,4,5-tetrafluorobenzoylacetic acid, ethyl esterethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionateethyl 2,3,4,5-tetrafluorobenzoyl-acetateE07593-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionic Acid Ethyl Ester(2,3,4,5-Tetrafluorobenzoyl)acetic Acid Ethyl EsterEthyl (2345-Tetrafluorobenzoyl)acetateSCHEMBL1185918

데이터베이스 식별자

CAS: 94695-50-8
PubChem CID: 600916
DTXSID: DTXSID70344983
EC Number: 700-167-6
Nikkaji: J340.036K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 323

물리화학적 성질

녹는점: 41 · 41-44°C
끓는 점: 100 °C · 100 °C / 0.1mmHg
밀도: 1.384 · 1.384
인화점: 123 ℃ · 123℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 10.51 · 10.51±0.50(Predicted)
색상: 미색부터 베이지까지
InChI: InChI=1S/C11H8F4O3/c1-2-18-8(17)4-7(16)5-3-6(12)10(14)11(15)9(5)13/h3H,2,4H2,1H3
InChIKey: KWDVJYLIAJHEOW-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CC(C1=CC(F)=C(F)C(F)=C1F)=O

화학적 성질

White or off-white crystal

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)

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

유해성 정보

Regulatory InformationStatus: Active Update: 26-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1112

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29183000
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도Ethyl 2,3,4,5-tetrafluorobenzoyl acetate is a fluorinated benzoylacetate used as a synthetic reagent in the preparation of antibacterial and potential antitumor agents.