Ethyl trifluoroacetate (HCID 9794)

개요

TRIFLUOROACETIC ACID ETHYL ESTER is an organohalogen compound. It is functionally related to a carboxylic acid.

이름 및 식별자

우선 이름: Ethyl trifluoroacetate
IUPAC: ethyl 2,2,2-trifluoroacetate
현지명: 트리플루오로초산 에틸에스테르
영어명: Ethyl trifluoroacetate
분자식: C4H5F3O2
분자량: 142.08

이름 및 동의어

ETHYL TRIFLUOROACETATEethyl 2,2,2-trifluoroacetateTrifluoroacetic acid ethyl esterAcetic acid, trifluoro-, ethyl esterEthyl trifluoroethanoateTrifluoroacetic acid, ethyl esterDTXSID8041959UNII-A6TZK6X11XA6TZK6X11XETHYL PERFLUOROACETATEAcetic acid, 2,2,2-trifluoro-, ethyl esterEthyl ester of Trifluoroacetic acid

이름 더 보기

트리플루오로초산에틸에스테르에틸트리플루오로아세테이트ETFATFAETRARECHEM AL BI 0416Ethyltrifluoracetat2,2,2-Trifluoroacetic acid ethyl estercb1020fd06h11

EINECS 206-851-6CF3COOC2H5NSC 220215NSC-220215AI3-52221DTXCID6021959EC 206-851-6ETHYL .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROACETATE

데이터베이스 식별자

CAS: 383-63-1
PubChem CID: 9794
DTXSID: DTXSID8041959
ChEMBL: CHEMBL3185188
ChEBI: CHEBI:192463
UNII: A6TZK6X11X
EC Number: 206-851-6
Nikkaji: J139.766D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 107

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters

PFAS · 2건

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

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

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Vapor Pressure196.0 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -78 °C · -78 °C
끓는 점: 60 · 60-62 °C(lit.)
밀도: 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
증기압: 18.5 kPa · 18.5kPa at 20℃
굴절률: 20 · n20/D 1.307(lit.)
인화점: 30 °F · 30 °F
저장 조건: 2 · 2-8°C
용해도: 4 g/L · 4g/L
물리적 상태: 액체
산도 계수 (pKa): 0.43 · 0.43[at 20 ℃]
Specific Gravity: 1.194 · 1.194
색상: 투명한
수소이온지수(pH): 4 · 4 (4g/l, H2O, 20℃)
수용성: 가수 분해
BRN: 1761411 · 1761411
Henry's Law Constant: 8.9 · 8.9×10-4 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
안정성: 흡습성, 수분 민감성, 휘발성
InChI: 1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey: STSCVKRWJPWALQ-UHFFFAOYSA-N
SMILES: CCOC(=O)C(F)(F)F
LogP: 0.79 · 0.79-1.032 at 25℃
NIST: Acetic acid, trifluoro-, ethyl ester(383-63-1)
EPA: Ethyl trifluoroacetate (383-63-1)

화학적 성질

Colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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 191 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 06-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10724

Ethyl trifluoroacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See Sodium fluoroacetate. See Butyl trifluoroacetate. See Methyl trifluoroacetate.

Hazard Classes and CategoriesFlam. Liq. 2 (99.5%)

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
HS 번호: 29159080
risk_code: 11-22-37/38-41-34
hazard_code: F,Xn,C
safety_code: 9-16-26-36/39-45-36/37/39
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable/Corrosive
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2,2,2-trifluoro-, ethyl ester: ACTIVE

응용 분야

용도Ethyl Trifluoroacetate is an intermediate used in the synthesis of various pharmaceutically active molecules and agricultural products. Ethyl Trifluoroacetate is also useful for the preparation of tri fluoroacylated compounds.

제조 방법 · 1건

Trifluoroacetic acid and ethanol were used as starting materials with strong-acid cation exchange resin as catalysts at 40 ~ 50 she℃. Add ethanol drop and temperature rising reflux divides the mixture of water and ethanol. After that, collect the mix of thick product ethanol and Ethyl trifluoroacetate. The crude product collected is added a small amount of water, and layering can obtain a content of more than 99.5%. The qualified product Ethyl trifluoroacetate, whose moisture is less than 0.1%, yields more than 95%.

상·하류 제품 정보

상류 원료

트리플루오로아세트 산 Ethyl trifluoromethanesulfonate

하류 제품

2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-thiophene-5-carboxaldehyde Europium D-3-trifluoroacetylcamphorate 8-Chloro-2-(trifluoromethyl)quinoline-4-carbonitrile 3-TRIFLUOROACETYL-D-캠퍼 6,7-디메톡시옥시-3-메틸-1,2,3,4-테트라히드로이소퀴놀린히드로클로라이드 2-Amino-4-phenyl-6-(trifluoromethyl)pyrimidine 4,4,4-Trifluoro-1-phenyl-1,3-butanedione 2-Amino-6-t-butyl-4-(trifluoromethyl)pyrimidine Methyl5,5,5-trifluoro-4-oxopentanoate 1,1,1-트리플루오로-2-헥사논 에파비렌즈 4-(트리플루오로메틸)-알파,알파,알파-트리플루오로아세토페논

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]

济南万兴达新材料科技有限公司0531-88064106 18253116016 · [email protected]

연결된 노트

불러오는 중…

트리플루오로초산 에틸에스테르

기본 정보

개요