Methyl trifluoroacetate

HCID 9893CAS 431-47-0
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기본 정보

표준 SMILES
COC(=O)C(F)(F)F
InChIKey
VMVNZNXAVJHNDJ-UHFFFAOYSA-N
분자식
C3H3F3O2
평균 분자량
128.05 g/mol
단동위원소 질량
128.008514

이름 및 식별자

우선 이름
Methyl trifluoroacetate
IUPAC
methyl 2,2,2-trifluoroacetate
영어명
Methyl trifluoroacetate
분자식
C3H3F3O2
분자량
128.05

이름 및 동의어

METHYL TRIFLUOROACETATE431-47-0methyl 2,2,2-trifluoroacetateAcetic acid, trifluoro-, methyl esterTrifluoroacetic acid methyl esterMFCD00000417Acetic acid, 2,2,2-trifluoro-, methyl estermethyltrifluoroacetateMethyl 2,2,2-trifluoroacetate; Methyl PerfluoroacetateEINECS 207-074-5methyl trifluoracetateMethyl perfluoroacetate
이름 더 보기
TFAMEMethyl trifluoroacetMethyltrifluoracetatMthyl trifluoroacetateMethyletrifluoroacetateMethyltrifluoroacetate99%Methyltrifluoroacetate,97%
Methyl triflouroacetateCF3C(O)OCH3methyl2,2,2-trifluoroacetateMethyl trifluoroacetate, 99%SCHEMBL111507P6TZ5AS947SCHEMBL2256267SCHEMBL6954840

데이터베이스 식별자

CAS
431-47-0
PubChem CID
9893
DTXSID
DTXSID2059988
UNII
P6TZ5AS947
EC Number
207-074-5
Nikkaji
J196.119E

물성

구조 계산 물성

XLogP
0.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
1
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials PropertiesChemical shift
LogP0.6
Vapor Pressure538.0 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
-78 °C · -78 °C
끓는 점
43 · 43-43.5 °C (lit.)
밀도
1.273 g/mL · 1.273 g/mL at 25 °C (lit.)
증기압
5.77 psi · 5.77 psi ( 20 °C)
굴절률
20 · n20/D 1.291(lit.)
인화점
19 °F · 19 °F

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 08-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17397

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

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Ethyl trifluoroacetate.
Hazard Classes and CategoriesFlam. Liq. 2 (98%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 2924 3/PG 2
HS 번호
29159080
risk_code
11-34
hazard_code
F,C

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2,2,2-trifluoro-, methyl ester: ACTIVE
응용 분야 · 2건

용도Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.

일반 설명Methyl trifluoroacetate along with cesium fluoride or cesium chloride and CuI constitutes a valuable trifluoromethylating reagent for substituting aromatic (or heteroaromatic) iodides and bromides. Adsorption of methyl trifluoroacetate on amorphous silica has been investigated. Fragmentation mechanism of generation of metastable ions from methyl trifluoroacetate has been investigated by mass analyzed ion kinetic energy spectra and ab initio molecular orbital calculations.

상·하류 제품 정보

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

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