CAS 383-62-0|ethyl 2-chloro-2,2-difluoroacetate|Ethyl chlorodifluoroacetate|ethyl 2-chloro-2,2-difluoroacetate|Ethyl chlorodifluoroacetate|二氟氯乙酸乙酯|Ethyl chloro(difluoro)acetate 98%|Chloro(dif...

Molecular Formula

C₄H₅ClF₂O₂

Molecular Mass

158.5311064

Exact Mass

157.99461352

InChI

InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

GVCAWQUJCHZRCB-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C(Cl)(F)F

Isomeric Smiles

C(C(=O)OCC)(Cl)(F)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6183715

LogD (pH = 7.4)

1.6183715

Log P

1.6183715

Molar Refractivity

28.0064

Polarizability

10.703101

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

67843

IUPAC Traditional name

ethyl 2-chloro-2,2-difluoroacetate

Synonyms

Ethyl chlorodifluoroacetateEthyl chlorodifluoroacetate二氟氯乙酸乙酯Ethyl chloro(difluoro)acetate 98%Chloro(difluoro)acetic acid ethyl esterChlorodifluoroacetic acid ethyl esterEthyl 2-chloro-2,2-difluoroethanoate

IUPAC name

ethyl 2-chloro-2,2-difluoroacetate

MDL Number

MFCD00013662

Beilstein Number

1761413

PubChem SID

24870471160972429

TSCA Listed

false

是

Storage Warning

IRRITANT, FLAMMABLE

Highly Flammable/Corrosive/Lachrymatory

Moisture Sensitive

MSDS Link

Download link

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

GHS Hazard statements

H225-H314

H225-H314-H318

Personal Protective Equipment

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RID/ADR

UN 2924 3/PG 2

Safety Statements

16-26-27-36/37/39-45

16-26-33-36/37/39-45

GHS Precautionary statements

P210-P280-P305+P351+P338-P310

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

German water hazard class

European Hazard Symbols

Corrosive (C)

Flammable (F)

UN Number

2924

UN2924

Packing Group

GHS Signal Word

Danger

Risk Statements

11-34

Hazard Class

Product Information

Purity

99%

98%

Linear Formula

ClCF2CO2C2H5

Physical Property

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

469599

Packaging
25 mL in glass bottle

From Data Sources

• Wittig reactions with phosphorus ylides give enol ethers, which are useful precursors of various fluorinated derivatives: J. Org. Chem., 57, 3807 (1992); Org. Synth., 75, 153 (1997). See Ethyl trifluoroacetate, A11520, for reaction scheme.

• For conversion to difluoromalonaldehyde derivatives, see: J. Chem. Soc., Chem. Commun., 540 (1992). These may be used in the synthesis of ɑ, ɑ -difluoro functionalized esters and amides.

Academic Data

PubChem

67843

IUPAC Traditional name

ethyl 2-chloro-2,2-difluoroacetate

Synonyms

IUPAC name

ethyl 2-chloro-2,2-difluoroacetate

MDL Number

Beilstein Number

PubChem SID

469599

Packaging
25 mL in glass bottle

From Data Sources

• For conversion to difluoromalonaldehyde derivatives, see: J. Chem. Soc., Chem. Commun., 540 (1992). These may be used in the synthesis of ɑ, ɑ -difluoro functionalized esters and amides.

Safety Information

Product Information

Purity

99%

98%

Linear Formula

ClCF2CO2C2H5

Physical Property

Molecule

ID:9122