Acetic acid, 2-chloro-2-fluoro-, ethyl ester
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Basic information
- CAS
401-56-9- Standard SMILES
CCOC(=O)C(F)Cl- InChIKey
WUHVJSONZHSDFC-UHFFFAOYSA-N- Molecular formula
- C4H6ClFO2
- Average molar mass
- 140.54 g/mol
- Monoisotopic mass
- 140.0040353
Names & identifiers
- Preferred name
- Acetic acid, 2-chloro-2-fluoro-, ethyl ester
- IUPAC
- ethyl 2-chloro-2-fluoroacetate
- English name
- ETHYL CHLOROFLUOROACETATE
- Molecular formula
- C4H6ClFO2
- Molecular weight
- 140.54
Names & synonyms
Ethyl chlorofluoroacetate401-56-9Acetic acid, chlorofluoro-, ethyl esterAcetic acid, 2-chloro-2-fluoro-, ethyl esterEINECS 206-930-5AI3-51573DTXSID20870525RefChem:552138DTXCID40818242206-930-5ethyl 2-chloro-2-fluoroacetateEthylChlorofluoroacetate
Show more names
Ethylchlorofluoroacetate97%Ethylchlorofluoroacetate,98%Ethyl Chlorofluoroacetate >Ethyl chlorofluoroacetate 97%chlorofluoro-aceticaciethylesterFluorochloroacetic acid ethyl esFluorochloroacetic acid ethyl ester2-Chloro-2-fluoroacetic acid ethyl ester
Chlorofluoroacetic Acid Ethyl Esterethyl chloro(fluoro)acetateethyl fluorochloroacetateMFCD00039333chloro-fluoro-acetic acid ethyl esterethyl 2-chloro-2-fluoro-acetateSCHEMBL103131Ethyl chlorofluoroacetate, 98%
Database identifiers
- CAS
401-56-9- PubChem CID
- 101668
- DTXSID
DTXSID20870525- EC Number
- 206-930-5
- Nikkaji
- J213.648A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.1
Physicochemical properties
- Boiling point
- 133 °C · 133 °C (lit.)
- Density
- 1.212 g/mL · 1.212 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.396(lit.)
- Flash point
- 125 °F · 125 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.225 · 1.225
- BRN
- 1748679 · 1748679
- InChI
- InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
- InChIKey
- WUHVJSONZHSDFC-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(Cl)F
- CAS DataBase Reference
- 401 · 401-56-9(CAS DataBase Reference)
- EPA Substance Registry System
- Acetic acid, chlorofluoro-, ethyl ester (401-56-9)
- UNSPSC Code
- 12352100 · 12352100
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29159000
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,F,Xi
- hazard_note
- Flammable
- safety_code
- 26-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-chloro-2-fluoro-, ethyl ester: INACTIVE
Applications
UsesEthyl chlorofluoroacetate may be used in the synthesis of:chlorofluoroacetamideethyl α-fluoro silyl enol etherchlorofluoroacetyl chloride
Related reactions
4 records
Compound notes
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