Diethyl acetylenedicarboxylate - CAS 762-21-0
Catalog: |
BB035522 |
Product Name: |
Diethyl acetylenedicarboxylate |
CAS: |
762-21-0 |
Synonyms: |
diethyl but-2-ynedioate |
IUPAC Name: | diethyl but-2-ynedioate |
Description: | Diethyl acetylenedicarboxylate (CAS# 762-21-0) is a useful research chemical. |
Molecular Weight: | 170.16 |
Molecular Formula: | C8H10O4 |
Canonical SMILES: | CCOC(=O)C#CC(=O)OCC |
InChI: | InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3 |
InChI Key: | STRNXFOUBFLVIN-UHFFFAOYSA-N |
Boiling Point: | 107-110 °C (11 mmHg) |
Purity: | 99 % |
Density: | 1.06 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00009186 |
LogP: | 0.11600 |
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 |
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PMID | Publication Date | Title | Journal |
22148465 | 20120102 | Synthesis, reactivity studies, structural aspects, and solution behavior of half sandwich ruthenium(II) N,N',N''-triarylguanidinate complexes | Inorganic chemistry |
22259399 | 20120101 | rac-Diethyl 5-oxo-2-[(2,4,4-trimethyl-pentan-2-yl)amino]-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
21445588 | 20111101 | Effects of 5-chloro-2-methyl-4-isothiazolin-3-one and other candidate biodiesel biocides on rat alveolar macrophages and NR8383 cells | Archives of toxicology |
21812477 | 20110919 | Enhanced toxicity of the protein cross-linkers divinyl sulfone and diethyl acetylenedicarboxylate in comparison to related monofunctional electrophiles | Chemical research in toxicology |
21568339 | 20110711 | Synthesis of 3,4-dihydropyridin-2(1H)-ones and 3,4-dihydro-2H-pyrans via Four-component reactions of aromatic aldehydes, cyclic 1,3-carbonyls, arylamines, and dimethyl acetylenedicarboxylate | ACS combinatorial science |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.05790880 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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