Ethyldifluoracetat

Ethyl difluoroacetate

HCID 9961CAS 454-31-9

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Grundinformationen

Standard-SMILES: CCOC(=O)C(F)F
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N
Summenformel: C4H6F2O2
Durchschnittliche Molmasse: 124,09 g/mol
Monoisotopische Masse: 124,03358587

Namen und Bezeichner

Bevorzugter Name: Ethyl difluoroacetate
IUPAC: ethyl 2,2-difluoroacetate
Lokaler Name: Ethyldifluoracetat
Englischer Name: Ethyl difluoroacetate
Summenformel: C4H6F2O2
Molmasse: 124.09

Namen und Synonyme

ETHYL DIFLUOROACETATE454-31-9Acetic acid, difluoro-, ethyl esterAcetic acid, 2,2-difluoro-, ethyl esterEINECS 207-223-4DTXSID0060010EC 207-223-4RefChem:596176DTXCID1040409207-223-4ethyl 2,2-difluoroacetateethyldifluoroacetate

Weitere Namen anzeigen

uroacetateAKOS B020251ethyldifluoracetatART-CHEM-BB B020251EthyldifluorocetateDifluoroacetate(DFAE)

Difluoroacetic Acid Ethyl Esterdifluoro-acetic acid ethyl esterMFCD00013578ETHYL DIFLUORO ACETATEEthyl difluoroaceticethyl difluoroacetic acidethyl difluroacetate2,2-Difluoroacetic acid ethyl ester

Datenbank-Bezeichner

CAS: 454-31-9
PubChem CID: 9961
DTXSID: DTXSID0060010
UNII: A3R5VZ4KWN
EC Number: 207-223-4
Nikkaji: J79.622K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 82,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesViscosity

LogP0.87

Physikochemische Eigenschaften

Siedepunkt: 99.2 °C · 99.2 °C (lit.)
Dichte: 1.18 g/mL · 1.18 g/mL at 25 °C (lit.)
Dampfdruck: 30.03 · 30.03-200.2hPa at 20.03-56.98℃
Brechungsindex: 1.3465 · 1.3465-1.3485
Flammpunkt: 25 °C · 25 °C
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Sparingly), Methanol (Sparingly)
Aggregatzustand: Liquid
Wichte: 1.242 · 1.242
Farbe: Clear colorless
Wasserlöslichkeit: Slightly soluble in water
BRN: 1748597 · 1748597
InChI: 1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N
SMILES: CCOC(=O)C(F)F
LogP: 0.87 at · 0.87 at 25℃
CAS Datenbank: 454 · 454-31-9(CAS DataBase Reference)
NIST chemische Informationen: Acetic acid, difluoro-, ethyl ester(454-31-9)
EPA chemische Informationen: Acetic acid, difluoro-, ethyl ester (454-31-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (71.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 202 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 02-08-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7247

Hazard Classes and CategoriesFlam. Liq. 2 (71.3%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 1992
hs_code: 29159000
risk_code: 34-10
hazard_code: C,F,T,Xi
hazard_note: Flammable
safety_code: 45-36/37/39-26-16-27
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

VerwendenEthyl difluoroacetate is used in pharmaceutical intermediates, acrylization oxidation and halogenating reaction of catalyst. Also ethyl difluoroacetate is used in preparing pyrrazolo-pyrimidine derivatives.