2-Ethynylbenzaldehyde - CAS 38846-64-9
Catalog: |
BB023775 |
Product Name: |
2-Ethynylbenzaldehyde |
CAS: |
38846-64-9 |
Synonyms: |
2-ethynylbenzaldehyde |
IUPAC Name: | 2-ethynylbenzaldehyde |
Description: | 2-Ethynylbenzaldehyde (CAS# 38846-64-9) is a useful research chemical. |
Molecular Weight: | 130.14 |
Molecular Formula: | C9H6O |
Canonical SMILES: | C#CC1=CC=CC=C1C=O |
InChI: | InChI=1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H |
InChI Key: | ZEDSAJWVTKUHHK-UHFFFAOYSA-N |
Boiling Point: | 230.3 °C at 760 mmHg |
Melting Point: | 64-67 °C |
Purity: | 95 % |
Density: | 1.07 g/cm3 |
Appearance: | Orange to tan powder or crystals |
MDL: | MFCD04039985 |
LogP: | 1.48040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21306122 | 20110302 | A stereodynamic probe providing a chiroptical response to substrate-controlled induction of an axially chiral arylacetylene framework | Journal of the American Chemical Society |
21142009 | 20110107 | CuI/I2-promoted electrophilic tandem cyclization of 2-ethynylbenzaldehydes with ortho-benzenediamines: synthesis of iodoisoquinoline-fused benzimidazoles | The Journal of organic chemistry |
20606372 | 20100701 | Construction of indole- and isoquinoline-fused nitrogen-containing heterocycles through copper-catalyzed multi-component reaction | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
19803474 | 20091105 | Gold(III) chloride catalyzed synthesis of 1-cyanoisoindoles | Organic letters |
19572599 | 20090821 | Rapid access to 3-(aminomethyl)isoquinoline-fused polycyclic compounds by copper-catalyzed four-component coupling, cascade cyclization, and oxidation | The Journal of organic chemistry |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.041864811 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.041864811 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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