Acetoxyacetyl chloride - CAS 13831-31-7
Catalog: |
BB008734 |
Product Name: |
Acetoxyacetyl chloride |
CAS: |
13831-31-7 |
Synonyms: |
(2-chloro-2-oxoethyl) acetate |
IUPAC Name: | (2-chloro-2-oxoethyl) acetate |
Description: | Acetoxyacetyl chloride (CAS# 13831-31-7) is a compound useful in organic synthesis. |
Molecular Weight: | 136.53 |
Molecular Formula: | C4H5ClO3 |
Canonical SMILES: | CC(=O)OCC(=O)Cl |
InChI: | InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3 |
InChI Key: | HZDNNJABYXNPPV-UHFFFAOYSA-N |
Boiling Point: | 55 °C (12 mmHg) |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
Appearance: | Clear colorless to pale yellow liquid |
Storage: | Water-free area |
MDL: | MFCD00011535 |
LogP: | 0.31490 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22568765 | 20120601 | Synthesis of α-hydroxyacetophenones | The Journal of organic chemistry |
21667974 | 20110805 | Entrapment and kinetic resolution of stabilized axial and equatorial conformers of spiro-β-lactams | The Journal of organic chemistry |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.9927217 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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