Phenylpropargyl aldehyde - CAS 2579-22-8
Catalog: |
BB019032 |
Product Name: |
Phenylpropargyl aldehyde |
CAS: |
2579-22-8 |
Synonyms: |
3-phenylprop-2-ynal |
IUPAC Name: | 3-phenylprop-2-ynal |
Description: | Phenylpropargyl aldehyde (CAS# 2579-22-8) is a useful research chemical. |
Molecular Weight: | 130.14 |
Molecular Formula: | C9H6O |
Canonical SMILES: | C1=CC=C(C=C1)C#CC=O |
InChI: | InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H |
InChI Key: | IDASOVSVRKONFS-UHFFFAOYSA-N |
Boiling Point: | 118 °C (13 mmHg) |
Density: | 1.064 g/cm3 |
Appearance: | Orange-red liquid |
MDL: | MFCD00006995 |
LogP: | 1.23700 |
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 |
CN-113248418-A | 3-alkynyl-2, 4-diester-based pyrrole compound and preparation method thereof | 20210511 |
CN-113200905-A | Chiral indolone derivative and synthesis method thereof | 20210331 |
CN-112300157-A | Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof | 20201116 |
CN-112300157-B | Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof | 20201116 |
CN-112079792-A | Preparation method of azacyclo-carbene catalytic axial chiral 1, 3-thiazine compound | 20200916 |
PMID | Publication Date | Title | Journal |
19634900 | 20090821 | Use of N-methylformamide as a solvent in indium-promoted Barbier reactions en route to enediyne and epoxy diyne formation: comparison of rate and stereoselectivity in C-C bond-forming reactions with water | The Journal of organic chemistry |
15565235 | 20041207 | Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations | Organic & biomolecular chemistry |
12197744 | 20020904 | Asymmetric synthesis of anti-homopropargylic alcohols from aldehydes and chiral sulfonimidoyl substituted bis(allyl)titanium complexes through generation and elimination of novel chiral alkylidenecarbene (dimethylamino)sulfoxonium ylides | Journal of the American Chemical Society |
Complexity: | 164 |
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: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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