Ethyl 2,3-dichloropropionate - CAS 6628-21-3
Catalog: |
BB032969 |
Product Name: |
Ethyl 2,3-dichloropropionate |
CAS: |
6628-21-3 |
Synonyms: |
ethyl 2,3-dichloropropanoate |
IUPAC Name: | ethyl 2,3-dichloropropanoate |
Description: | Ethyl 2,3-dichloropropionate (CAS# 6628-21-3 ) is a useful research chemical. |
Molecular Weight: | 171.02 |
Molecular Formula: | C5H8Cl2O2 |
Canonical SMILES: | CCOC(=O)C(CCl)Cl |
InChI: | InChI=1S/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3 |
InChI Key: | RNZPQAZETZXKCQ-UHFFFAOYSA-N |
Boiling Point: | 164-165 °C (lit.) |
Purity: | 97 % |
Density: | 1.241 g/mL at 25 °C(lit.) |
LogP: | 1.39570 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CZ-20041240-A3 | The process for producing optically active haloalkane and alcohol by hydrolytic dehalogenation catalyzed by haloalkane dehalogenases | 20041227 |
CZ-301290-B6 | The process for producing optically active haloalkane and alcohol by hydrolytic dehalogenation catalyzed by haloalkane dehalogenases | 20041227 |
JP-2004143145-A | Fluorinated surfactant | 20020828 |
JP-2002167388-A | Method for producing 2,2'-anhydronucleic acid compound derivative | 20000719 |
JP-3868235-B2 | Method for producing 2,2'-anhydronucleic acid compound derivative | 20000719 |
Complexity: | 95 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.9901349 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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