Ethyl 4,4,4-trifluoroacetoacetate (HCID 67793)

개요

structure in first source

이름 및 식별자

우선 이름: Ethyl 4,4,4-trifluoroacetoacetate
IUPAC: ethyl 4,4,4-trifluoro-3-oxobutanoate
현지명: 에틸 4,4,4-트리플로로아세토아세테이트
영어명: Ethyl 4,4,4-trifluoroacetoacetate
분자식: C6H7F3O3
분자량: 184.11

이름 및 동의어

Ethyl 4,4,4-trifluoroacetoacetate372-31-6Ethyl (trifluoroacetyl)acetateethyl-4,4,4-trifluoroacetoacetateButanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl esterAcetoacetic acid, 4,4,4-trifluoro-, ethyl esterAI3-52657NSC-42739KM9XB46R5TDTXSID5059905RefChem:138724DTXCID8039299

이름 더 보기

에틸4,4,4-트리플로로아세토아세테이트ETFAAETHYL 3-OXO-4,4,4-TRIFLUOROACETOACETATE4,4,4-trifLAKOS B020306uoroacetoacetateTIMTEC-BB SBB008825Ethyl 4,4,4-trifluorTrifluoroacylacidester

206-750-7Ethyl 4,4,4-trifluoro-3-oxobutanoateEthyl trifluoroacetoacetate4,4,4-trifluoro-3-oxobutanoic acid ethyl ester4,4,4-Trifluoroacetoacetic acid ethyl esterETHYL 4,4,4-TRIFLUORO-3-OXOBUTYRATEMFCD00000424Ethyl 3-oxo-4,4,4-trifluorobutyrate

데이터베이스 식별자

CAS: 372-31-6
PubChem CID: 67793
DTXSID: DTXSID5059905
ChEMBL: CHEMBL152164
UNII: KM9XB46R5T
EC Number: 206-750-7
Nikkaji: J150.821K

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters

PFAS · 2건

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

SpringerMaterials PropertiesOptical coefficient

Vapor Pressure6.0 [mmHg]

Physical Description · 2건

Liquid

Colorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -39 °C · -39 °C
끓는 점: 129 · 129-130 °C(lit.)
밀도: 1.259 g/mL · 1.259 g/mL at 25 °C(lit.)
증기압: 8 hPa · 8hPa at 20℃
굴절률: 20 · n20/D 1.375(lit.)
인화점: 84 °F · 84 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 10 g/L · 10g/L
물리적 상태: 액체
산도 계수 (pKa): 7.76 · 7.76±0.10(Predicted)
색상: 무색투명~미황색
Specific Gravity: 1.259 · 1.259 (20/4℃)
수소이온지수(pH): 6.2 · 6.2 (10g/l, H2O, 20℃)
수용성: 10 g/L · 10g/L(20℃)
BRN: 608353 · 608353
InChI: 1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)C(F)(F)F
NIST: 4 · Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester(372-31-6)
EPA: 4 · Ethyl 4,4,4-trifluoroacetoacetate (372-31-6)

화학적 성질

Clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 222 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 11-01-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12161

Ethyl 4,4,4-trifluoroacetoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Ethyl trifluoroacetate.

Hazard Classes and CategoriesFlam. Liq. 3 (99.5%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
HS 번호: 29183000
risk_code: 10-22-52/53
hazard_code: Xn,F,C,Xi
safety_code: 61-16
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable/Corrosive
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

UsesUsed to make fine chemicals; [ExPub: ECHA REACH Registrations]

U.S. Production2023: 270,904 lb

Consumer UsesAnti-adhesive/cohesive

Industry UsesAnti-adhesive/cohesive

General Manufacturing Information · 2건

Paint and Coating Manufacturing

Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester: ACTIVE

응용 분야

용도Ethyl 4,4,4-trifluoroacetoacetate is used in the synthesis of fluorinated 2-thiouracil analogs as antithyroid agents.

상·하류 제품 정보

상류 원료

하류 제품

6-플루오로-4-(트리플루오로메틸)퀴놀린-2-아민 2-Hydroxy-4-(trifluoromethyl)quinoline (5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)METHANAMINE (1-TERT-BUTYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)METHANOL 4-히드록시-2-(메틸티오)-6-(트리플루오로메틸)피리딘 7-히드록시-4-(트리플루오로메틸)쿠마린 ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate 1-메틸-5-(트리플루오로메틸)-1H-피라졸-3-OL 4-BROMO-6-(TRIFLUOROMETHYL)PYRIMIDINE (5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL 1-페닐-5-(트리플루오로메틸)-1H-피라졸-4-카르복시산 5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南中蓝化工有限公司15169176553; 15169176553 · [email protected]

연결된 노트

불러오는 중…

에틸 4,4,4-트리플로로아세토아세테이트

기본 정보

개요