Dimethyl chloromalonate - CAS 28868-76-0
Catalog: |
BB019994 |
Product Name: |
Dimethyl chloromalonate |
CAS: |
28868-76-0 |
Synonyms: |
dimethyl 2-chloropropanedioate |
IUPAC Name: | dimethyl 2-chloropropanedioate |
Description: | Dimethyl chloromalonate (CAS# 28868-76-0) is a useful research chemical compound. |
Molecular Weight: | 166.56 |
Molecular Formula: | C5H7ClO4 |
Canonical SMILES: | COC(=O)C(C(=O)OC)Cl |
InChI: | InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3 |
InChI Key: | LNBQBURECUEBKZ-UHFFFAOYSA-N |
Boiling Point: | 105-106 °C (19 mmHg) |
Purity: | 95 % |
Density: | 1.305 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD00042837 |
LogP: | -0.06020 |
GHS Hazard Statement: | H314 (97.56%): 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 |
CN-113072505-A | Preparation method of pentadeuterium atom substituted 2-thiophenobarbital | 20210325 |
CN-113045447-A | 2-amino malonamide and synthetic method thereof | 20210316 |
WO-2020245724-A1 | Multifunctional fluorinated compound, fluorinated polymers made from the compound, and related methods | 20190604 |
WO-2020214545-A1 | Process for preparing carbamoyloxymethyl triazole cyclohexyl acid compounds | 20190416 |
CN-109824512-A | A kind of preparation method of 2- fluorine dimethyl malenate | 20190226 |
PMID | Publication Date | Title | Journal |
16958552 | 20060915 | Stereoselective synthesis of highly functionalized nitrocyclopropanes via organocatalyic conjugate addition to nitroalkenes | The Journal of organic chemistry |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0032864 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0032864 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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