Basic information
- CAS
433-53-4- Standard SMILES
COC(=O)C(F)F- InChIKey
CSSYKHYGURSRAZ-UHFFFAOYSA-N- Molecular formula
- C3H4F2O2
- Average molar mass
- 110.06 g/mol
- Monoisotopic mass
- 110.01793569
Names & identifiers
- Preferred name
- Methyl difluoroacetate
- IUPAC
- methyl 2,2-difluoroacetate
- English name
- METHYL DIFLUOROACETATE
- Molecular formula
- C3H4F2O2
- Molecular weight
- 110.06
Names & synonyms
Methyl difluoroacetate433-53-4Acetic acid, difluoro-, methyl ester6U74LQW4K6EINECS 207-089-7DTXSID10195815RefChem:157845DTXCID50118306207-089-7CSSYKHYGURSRAZ-UHFFFAOYSA-Nmethyl 2,2-difluoroacetateDifluoroacetic Acid Methyl Ester
Show more names
AKOS B020262ART-CHEM-BB B020262MethylDifluoroacetate>methyl2,2-difluoroacetateMethyldifluoroacetate,99%Methyl difluoroacetate 99%ethanoicacid,difluoro-,methylesterα,2-Difluoroacetic acid methyl ester
MFCD00039276methyl2,2-difluoroacetateJF10017Methyl difluoroacetate #UNII-6U74LQW4K6Methyl difluoroacetate, 96%SCHEMBL237982SCHEMBL5213613
Database identifiers
- CAS
433-53-4- PubChem CID
- 79012
- DTXSID
DTXSID10195815- UNII
- 6U74LQW4K6
- EC Number
- 207-089-7
- Nikkaji
- J146.984C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 71.3
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 85 · 85-86 °C (lit.)
- Density
- 1.26 g/mL · 1.26 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.334(lit.)
- Flash point
- 75 °F · 75 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.272 · 1.272
- Water Solubility
- Slightly soluble in water.
- BRN
- 1747534 · 1747534
- InChI
- InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3
- InChIKey
- CSSYKHYGURSRAZ-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C(F)F
- CAS DataBase Reference
- 433 · 433-53-4(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (14.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (14.3%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29159000
- risk_code
- 10-20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,F
- hazard_note
- Flammable
- safety_code
- 16-23-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
Chemistry & industry
Applications
UsesA methyl difluoroacetate (MFA)-based LiPF6 solution was applied as an electrolyte to improve the thermal stability of Li-ion batteries. Methyl difluoroacetate is used in the inhibition of corrosion of aluminum cathode current collector for lithium ion cells.
General DescriptionThe gas-phase reactions of Cl atoms with methyl difluoroacetate have been investigated at 296 ± 2K and atmospheric pressure of synthetic air.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
济南中蓝化工有限公司15169176553; 15169176553 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
上海遐瑞医药科技有限公司
Related reactions
5 records
Compound notes
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