에틸2-클로로-4,4,4-트리플루오로아세토아세테이트

Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate

HCID 2737165

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 363-58-6
표준 SMILES: CCOC(=O)C(Cl)C(=O)C(F)(F)F
InChIKey: YVWUNJVPOCYLIM-UHFFFAOYSA-N
분자식: C6H6ClF3O3
평균 분자량: 218.56 g/mol
단동위원소 질량: 217.99575639

이름 및 식별자

우선 이름: Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
IUPAC: ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
현지명: 에틸2-클로로-4,4,4-트리플루오로아세토아세테이트
영어명: Ethyl 2-chloro-4,4,4-trifluoroacetoacetate
분자식: C6H6ClF3O3
분자량: 218.56

이름 및 동의어

363-58-6ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoateDTXSID60371884RefChem:342713DTXCID60322917670-525-3ethyl 2-chloro-4,4,4-trifluoroacetoacetateEthyl 2-chloro-3-keto-4,4,4-trifluorobutyrateMFCD00041540SY061817EN300-73576ethyl 2-chloro-4,4,4-trifluoro-3-oxobuta-noate

이름 더 보기

에틸2-클로로-4,4,4-트리플루오로아세토아세테이트AKOS B0AKOS B023057uorobutyrateART-CHEM-BB B023057oro-3-keto-4,4,4-trifLEthyl 2-chlorotrifluoroacetoacetateETHYL 2-CHLORO-4,4,4-TRIFLUOROACETATEEthyl 4,4,4 trifluoro-2-chloroacetoacetate

Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate, AldrichCPRButanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl esterethyl 2-chloro-4,4,4-trifluoro-3-oxo-butanoateSCHEMBL290478ethyl chlorotrifluoroacetoacetate2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl esterSBB032986AKOS000311314

데이터베이스 식별자

CAS: 363-58-6
PubChem CID: 2737165
DTXSID: DTXSID60371884
EC Number: 670-525-3
Nikkaji: J1.488.422J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 214

물리화학적 성질

끓는 점: 67 °C · 67 °C
밀도: 1.39 · 1.39
굴절률: 1.388 · 1.388
인화점: 28 · 28
저장 조건: 2 · 2-8°C, sealed storage, away from moisture
산도 계수 (pKa): 4.96 · 4.96±0.35(Predicted)
물리적 상태: 액체
색상: Clear, colourless
BRN: 1787023 · 1787023
InChI: InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3
InChIKey: YVWUNJVPOCYLIM-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Cl)C(=O)C(F)(F)F

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (25%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.