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Cas Database

Name	Ethyl difluoroacetate	EINECS	207-223-4
CAS No.	454-31-9	Density	1.135 g/cm³
PSA	26.30000	LogP	0.81460
Solubility	Slightly soluble in water	Melting Point	N/A
Formula	C₄H₆F₂O₂	Boiling Point	76 °C at 760 mmHg
Molecular Weight	124.087	Flash Point	1.1 °C
Transport Information	UN 1992	Appearance	clear colorless liquid
Safety	45-36/37/39-26-16-27	Risk Codes	34-10
Molecular Structure		Hazard Symbols	C, F, T, Xi
Synonyms	Aceticacid, difluoro-, ethyl ester (6CI,7CI,8CI,9CI);2,2-Difluoroacetic acid ethylester;Difluoroacetic acid ethyl ester;Ethyl 2,2-difluoroacetate;Ethyl difluoroacetic;	Article Data	46

Ethyl difluoroacetate Synthetic route

: 667-27-6
Ethyl bromodifluoroacetate

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-7-methylbenzo-[d]imidazole; [Zr(2,6-bis(5-methyl-3-phenyl-1H-pyrrol-2-yl)pyridine)2] In benzene-d6 for 2.5h; Catalytic behavior; UV-irradiation; Inert atmosphere; Schlenk technique;	98%
With 1,2,3-trimethoxybenzene; (3,5-dimethyl-2-(2-pyridyl)pyrrolide)3ZrCl; 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-7-methylbenzo-[d]imidazole In benzene-d6 at 33℃; for 0.5h; Time; Irradiation; Glovebox;	85%
With N,N,N,N,-tetramethylethylenediamine In dimethylsulfoxide-d6 at 20℃; for 15h; Irradiation;	41%
Stage #1: Ethyl bromodifluoroacetate With zinc In tetrahydrofuran at 20 - 50℃; for 1h; Inert atmosphere; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 0℃; Product distribution / selectivity;	~ 90 %Chromat.
With hydrogen; nickel; triethylamine In ethanol at 80℃; under 3750.38 - 7500.75 Torr;

: 64-17-5
ethanol

: 2925-22-6
2,2-difluoroacetyl fluoride

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With N,N-dimethyl acetamide for 4h; Product distribution / selectivity; Inert atmosphere; Sealed tube; Cooling with ice;	96%
With sodium carbonate at 5 - 20℃; for 1h; Product distribution / selectivity; Inert atmosphere;	77%
at 20℃; for 0.5h;

: 64-17-5
ethanol

: 667-50-5
Difluoroacetic acid N,N-dimethylamide

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With sulfuric acid at 0 - 70℃; for 2h; Temperature;	93.98%

: 36589-84-1
1,1-diethoxy-2,2-difluoro-ethane

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With dihydrogen peroxide; vanadia at 5℃; for 5h;	89.9%

: 512-51-6
1,1,2,2-tetrafluoroethyl ethyl ether

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With sulfuric acid In water at 54 - 56℃; for 1h;	87%
Stage #1: Ethyl 1,1,2,2-tetrafluoroethyl ether With sulfuric acid; hydrogen fluoride In ethanol; water at -20 - 50℃; for 24h; Autoclave; Stage #2: With sodium hydrogencarbonate at 20℃; under 760.051 Torr; for 1h; Reagent/catalyst;	86%
With nitric acid
With sulfuric acid
With water; fluorinated γ-alumina at 180℃; for 0.0202778h; Product distribution / selectivity; Inert atmosphere; Gas phase;

: 64-17-5
ethanol

: 512-51-6
1,1,2,2-tetrafluoroethyl ethyl ether

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With sulfuric acid; silica gel at 50℃; for 24h; Time; Autoclave;	86%

: 383-62-0
ethyl 2-chloro-2,2-difluoroacetate

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; triethylamine In ethanol at 30℃; under 750.075 - 3000.3 Torr;	75%
With zinc In N,N-dimethyl-formamide at 70℃; Yield given;

: 592-76-7
1-Heptene

: 7648-30-8
ethyl 2,2-difluoro-2-iodoacetate

A: 454-31-9
ethyl difluoroacetate

B: 127224-10-6
Ethyl 2,2-Difluoro-4-iodononanoate

Conditions

Conditions	Yield
With hydroquinone; nickel dichloride; zinc In tetrahydrofuran; water 1) RT, 15 min, 2) RT, 20 min;	A 70% B 17%

: 383-62-0
ethyl 2-chloro-2,2-difluoroacetate

A: 381-73-7
Difluoroacetic acid

B: 454-31-9
ethyl difluoroacetate

C: 76-04-0
2-chloro-2,2-difluoroacetic acid

Conditions

Conditions	Yield
With ethanol; zinc for 1 - 3h; Product distribution / selectivity; Heating / reflux;	A 9.7% B 61.6% C 0.4%

: 64-17-5
ethanol

: 359-12-6
difluoroacetonitrile

: 454-31-9
ethyl difluoroacetate

Conditions

Conditions	Yield
With sulfuric acid In water at 10 - 120℃; for 14h;	57%

Ethyl difluoroacetate Chemical Properties

IUPAC Name: Ethyl 2,2-difluoroacetate
Following is the structure of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9):

Molecular Formula: C₄H₆F₂O₂
Molecular Weight: 124.09g/mol
Mol File: 454-31-9.mol
EINECS: 207-223-4
Flash Point: 1.1 °C
Density: 1.135 g/cm³
Refractive index: 1.3465-1.3485
Surface Tension: 20.4 dyne/cm
Boiling point: 76 °C at 760 mmHg
Enthalpy of Vaporization: 31.71 kJ/mol
Vapour Pressure: 103 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Acceptor: 4
Molar Refractivity: 22.64 cm³
Molar Volume: 109.3 cm³
Appearance of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9): Colorless to light brown clear liquid
Product Categories of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9): Pharmaceutical Intermediates; Fluoro-Aliphatics ; Organic Fluorides; Fluorochemicals; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C2 to C5; Carbonyl Compounds; Esters
Canonical SMILES: CCOC(=O)C(F)F
InChI: InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N

Ethyl difluoroacetate Safety Profile

Safety Information of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9):
Hazard Codes: C Corrosive ,F,T Toxic ,Xi Irritant
Risk Statements: 34-10
10: Flammable
34: Causes burns
Safety Statements: 45-36/37/39-26-16-27
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: 1992
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III

Ethyl difluoroacetate Specification

Aceticacid, 2,2-difluoro-, ethyl ester , its CAS NO. is 454-31-9, the synonyms are Ethyl difluoroacetate ; and Acetic acid, difluoro-, ethyl ester .

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