Home > Compound List > Compound details
383-62-0 molecular structure
click picture or here to close

ethyl 2-chloro-2,2-difluoroacetate

ChemBase ID: 9122
Molecular Formular: C4H5ClF2O2
Molecular Mass: 158.5311064
Monoisotopic Mass: 157.99461352
SMILES and InChIs

SMILES:
C(C(=O)OCC)(Cl)(F)F
Canonical SMILES:
CCOC(=O)C(Cl)(F)F
InChI:
InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey:
GVCAWQUJCHZRCB-UHFFFAOYSA-N

Cite this record

CBID:9122 http://www.chembase.cn/molecule-9122.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-chloro-2,2-difluoroacetate
IUPAC Traditional name
ethyl 2-chloro-2,2-difluoroacetate
Synonyms
Ethyl chlorodifluoroacetate
Ethyl chlorodifluoroacetate
Ethyl 2-chloro-2,2-difluoroethanoate
Chloro(difluoro)acetic acid ethyl ester
Ethyl chloro(difluoro)acetate 98%
Chlorodifluoroacetic acid ethyl ester
二氟氯乙酸乙酯
CAS Number
383-62-0
EC Number
206-850-0
MDL Number
MFCD00013662
Beilstein Number
1761413
PubChem SID
160972429
24870471
PubChem CID
67843

CALCULATED PROPERTIES

CALCULATED PROPERTIES

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 cm3
Polarizability 10.703101 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
96-97°C expand Show data source
96-97.5 °C(lit.) expand Show data source
96-97°C expand Show data source
Flash Point
18 °C expand Show data source
18°C expand Show data source
18°C(64°F) expand Show data source
64.4 °F expand Show data source
Density
1.252 expand Show data source
1.252 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.3577 expand Show data source
1.3580 expand Show data source
n20/D 1.358(lit.) expand Show data source
Storage Warning
Highly Flammable/Corrosive/Lachrymatory expand Show data source
IRRITANT, FLAMMABLE expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2924 expand Show data source
UN2924 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-34 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
16-26-33-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314 expand Show data source
H225-H314-H318 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Linear Formula
ClCF2CO2C2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 469599 external link
Packaging
25 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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.
  • • 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.
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle