Dimethyl acetylenedicarboxylate - CAS 762-42-5
Catalog: |
BB035535 |
Product Name: |
Dimethyl acetylenedicarboxylate |
CAS: |
762-42-5 |
Synonyms: |
dimethyl but-2-ynedioate |
IUPAC Name: | dimethyl but-2-ynedioate |
Description: | Dimethyl acetylenedicarboxylate (CAS# 762-42-5) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 142.11 |
Molecular Formula: | C6H6O4 |
Canonical SMILES: | COC(=O)C#CC(=O)OC |
InChI: | InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3 |
InChI Key: | VHILMKFSCRWWIJ-UHFFFAOYSA-N |
Boiling Point: | 95-98 °C (19 mmHg) |
Melting Point: | -18 °C |
Flash Point: | 86°C |
Purity: | 95 % |
Density: | 1.16 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Store in a cool, dry place. Store in a tightly closed container. Corrosives area. |
MDL: | MFCD00008456 |
LogP: | -0.66420 |
Refractive Index: | 1.446-1.448 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (94.34%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
23828482 | 20130801 | Synthesis and antiviral activity of new substituted methyl [2-(arylmethylene-hydrazino)-4-oxo-thiazolidin-5-ylidene]acetates | Archiv der Pharmazie |
23018926 | 20120927 | 3-Amino-8-hydroxy-4-imino-6-methyl-5-phenyl-4,5-dihydro-3H-chromeno [2,3-d]pyrimidine: an effecient key precursor for novel synthesis of some interesting triazines and triazepines as potential anti-tumor agents | Molecules (Basel, Switzerland) |
22900920 | 20120919 | Mechanisms by which alkynes react with CpCr(CO)3H. Application to radical cyclization | Journal of the American Chemical Society |
22904880 | 20120801 | Dimethyl 2-[24-acetyl-28-oxo-8,11,14-trioxa-24,27-diaza-penta-cyclo-[19.5.1.1(22,26).0(2,7).0(15,20)]octa-cosa-2,4,6,15(20),16,18-hexaen-27-yl]but-2-enedioate | Acta crystallographica. Section E, Structure reports online |
22507893 | 20120701 | Synthesis and antitumor evaluation of novel benzo[d]pyrrolo[2,1-b]thiazole derivatives | European journal of medicinal chemistry |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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