Trifluoressigsäure-anhydrid

Trifluoroacetic anhydride

HCID 9845CAS 407-25-0

Grundinformationen

Standard-SMILES
O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIKey
QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Summenformel
C4F6O3
Durchschnittliche Molmasse
210,03 g/mol
Monoisotopische Masse
209,97516318

Namen und Bezeichner

Bevorzugter Name
Trifluoroacetic anhydride
IUPAC
(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
Lokaler Name
Trifluoressigsäure-anhydrid
Englischer Name
Trifluoroacetic anhydride
Summenformel
C4F6O3
Molmasse
210.03

Namen und Synonyme

TRIFLUOROACETIC ANHYDRIDE407-25-0Trifluoroacetic acid anhydrideBis(trifluoroacetic) anhydridePerfluoroacetic anhydrideTrifluoroacetyl anhydrideHexafluoroacetic anhydrideAnhydrid kyseliny trifluoroctove5ENA87IZHTNSC-96965DTXSID90861920RefChem:899576
Weitere Namen anzeigen
trifluoroaceticTRIFLUORACETIC ANHYDRIDETIFLUOROACETIC ANHYDRIDETrifluoroacetic anhyTrifluoroacetic anhydride 10g [407-25-0]uoroacetic anhydridetrimethylamine (TMA)
DTXCID90810771206-982-9TFAA2,2,2-trifluoroacetic anhydrideAcetic acid, trifluoro-, anhydridetrifluoro acetic anhydride(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate

Datenbank-Bezeichner

CAS
407-25-0
PubChem CID
9845
DTXSID
DTXSID90861920
UNII
5ENA87IZHT
EC Number
206-982-9
Nikkaji
J5.723A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
2
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Acid Anhydrides, Other
PFAS · 2 Einträge

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

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

SpringerMaterials PropertiesSchoenflies notation
Density1.49 @25 °C
Boiling Point39.5 °C @760 [mm Hg]
Vapor Pressure41.2 [mmHg]

Physikochemische Eigenschaften

Schmelzpunkt
-65 °C · -65 °C (lit.)
Siedepunkt
39.5 · 39.5-40 °C (lit.)
Dichte
1.511 g/mL · 1.511 g/mL at 20 °C (lit.)
Dampfdruck
6.28 psi · 6.28 psi ( 20 °C)
Brechungsindex
20 · n20/D 1.3(lit.)
Flammpunkt
-26 °C · -26 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 114 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Acetic acid, trifluoro-, anhydride

Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride 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: Active Update: 29-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10848

Trifluoroacetic anhydride: HSNO Approval: HSR004742 Approved with controls

Hazards SummaryCorrosive to skin; [eChemPortal: ERMA] Reacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1A (100%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.60 [mg/m3]

6.6 [mg/m3]

40 [mg/m3]

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
3-10
wgk
2
tsca
TSCA listed
ridadr
UN 3265 8/PG 1
hs_code
29159080
RTECS-Nr.
AJ9800000

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

Miscellaneous Manufacturing

Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTrifluoroacetic anhydride is used for the introduction of trifluoroacetyl group in organic synthesis. It is involved in the preparation of N- and O-trifluoroacetyl derivatives of a wide range of biologically active compounds for gas chromatography analysis. It plays an important role as desiccant for trifluoroacetic acid. It is also used in the oxidation of aldehydes to acids, esters, amides as well as in the protection of alcohols and amines. In addition, it is used as analytical reagents, solvents and dehydration condensing agent. It serves as an intermediate of fluorine fine chemicals, pharmaceuticals and agrochemicals.

Darstellung

synthetischeTrifluoroacetic anhydride is prepared by reaction of trifluoroacetyl chloride with an alkali metal or alkaline-earth metal salt of trifluoroacetic acid at approximately 50° C.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine2-Cyano-4-pyridine carboxylic acid2-Hydroxy-4-(trifluoromethyl)pyrimidine5-Bromo-2-hydroxymethylpyridine2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carbonitrile2-Chloro-4-(trifluoromethyl)pyrimidine[Bis(trifluoroacetoxy)iodo]pentafluorobenzeneBenzothiazol-6-amin2-Hydroxy-6-(trifluoromethyl)nicotinic acid2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide(2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)methanamine2,6-Dichloro-4-isocyanatopyridine

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