에틸2-메틸-4,4,4-트리플루오로아세토아세테이트

Ethyl 2-methyl-4,4,4-trifluoroacetoacetate

HCID 2737204

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 344-00-3
표준 SMILES: CCOC(=O)C(C)C(=O)C(F)(F)F
InChIKey: YLRGPBKEZVHOAW-UHFFFAOYSA-N
분자식: C7H9F3O3
평균 분자량: 198.14 g/mol
단동위원소 질량: 198.05037881

이름 및 식별자

우선 이름: Ethyl 2-methyl-4,4,4-trifluoroacetoacetate
IUPAC: ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate
현지명: 에틸2-메틸-4,4,4-트리플루오로아세토아세테이트
영어명: Ethyl 2-methyl-4,4,4-trifluoroacetoacetate
분자식: C7H9F3O3
분자량: 198.14

이름 및 동의어

344-00-3Ethyl 2-methyl-4,4,4-trifluoroacetoacetateDTXSID70371911RefChem:342892DTXCID30322944680-723-1ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoateEthyl 4,4,4-Trifluoro-2-methyl-3-oxobutyrateMFCD00190635ethyl 2-(trifluoroacetyl)propionateButanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl esterEthyl alpha-methyl-4,4,4-trifluoroacetoacetate

이름 더 보기

에틸2-메틸-4,4,4-트리플루오로아세토아세테이트382-Methyl-4,4,4-trifluoroacetyl esterEthyl 4,4,4-trifluoro-2-methylacetoacetateethyl 2-methyl-3-oxo-4,4,4-trifluorobutyrateEthyl 2-methyl-3-oxo-4,4,4-trifluorobutanoateEthyl 2-methyl-4,4,4-trifluoroacetoacetate 97%ETHYL A-METHYL-4,4,4-TRIFLUOROACETOACETATE TECH

ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoateSCHEMBL196658Ethyl 2-methyltrifluoroacetoacetateAC8116SBB092261AKOS006228575MS-20267SY045445

데이터베이스 식별자

CAS: 344-00-3
PubChem CID: 2737204
DTXSID: DTXSID70371911
EC Number: 680-723-1
Nikkaji: J946.128K

물성

구조 계산 물성

XLogP: 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: 210

물리화학적 성질

끓는 점: 144 °C · 144 °C
밀도: 1 · 1,2 g/cm3
굴절률: 1.374 · 1.374
인화점: 47 °C · 47°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
산도 계수 (pKa): 9.02 · 9.02±0.35(Predicted)
물리적 상태: 기름
색상: 무색~담황색
BRN: 1783620 · 1783620

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

ridadr: 3272
HS 번호: 2915390090
risk_code: 10-36/37/38
hazard_code: F,Xi
safety_code: 26-36
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable

화학 및 산업

응용 분야

용도Ethyl 2-(trifluoroacetyl)propionate, can be used in various chemical synthesis such as in the preparation of 5,6-disubstituted thiopyrimidine aryl aminothiazoles as inhibitors of the calcium-activated chloride channel TMEM16A/Ano1.