Ethyl difluoroacetate

HCID 9961
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Basic information

CAS
454-31-9
Standard SMILES
CCOC(=O)C(F)F
InChIKey
GZKHDVAKKLTJPO-UHFFFAOYSA-N
Molecular formula
C4H6F2O2
Average molar mass
124.09 g/mol
Monoisotopic mass
124.03358587

Names & identifiers

Preferred name
Ethyl difluoroacetate
IUPAC
ethyl 2,2-difluoroacetate
English name
Ethyl difluoroacetate
Molecular formula
C4H6F2O2
Molecular weight
124.09

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesViscosity
LogP0.87

Physicochemical properties

Boiling point
99.2 °C · 99.2 °C (lit.)
Density
1.18 g/mL · 1.18 g/mL at 25 °C (lit.)
vapor pressure
30.03 · 30.03-200.2hPa at 20.03-56.98℃
refractive index
1.3465 · 1.3465-1.3485
Flash point
25 °C · 25 °C
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory InformationStatus: Active Update: 02-08-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7247
Hazard Classes and CategoriesFlam. Liq. 2 (71.3%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
1992
hs_code
29159000
risk_code
34-10

Chemistry & industry

Uses & manufacturing

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

Applications

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

General DescriptionEthyl difluoroacetate was degraded to difluoroacetic acid by the strains of Actinobacteria.

Preparation methods · 1 item

PreparationCurrently, there are many methods for preparing Ethyl difluoroacetate, including the following: Method 1, EP0694523 discloses a method for preparing Ethyl difluoroacetate. This method involves the addition of tetrafluoroethylene to methanol under catalysis to synthesize methoxytetrafluoroethane. The methoxytetrafluoroethane is then catalytically cracked to obtain difluoroacetyl fluoride, which is then esterified with ethanol to obtain Ethyl difluoroacetate.

Upstream & downstream products

Suppliers100 total

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]

Related reactions

133 records
New reaction record

Compound notes

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