4-Ethynylbenzaldehyde - CAS 63697-96-1
Catalog: |
BB032242 |
Product Name: |
4-Ethynylbenzaldehyde |
CAS: |
63697-96-1 |
Synonyms: |
Benzaldehyde, 4-ethynyl-; 4-Formylphenylacetylene; p-Ethynylbenzaldehyde |
Related CAS: | 1416436-49-1 (Deleted CAS)
|
IUPAC Name: | 4-ethynylbenzaldehyde |
Molecular Weight: | 130.14 |
Molecular Formula: | C9H6O |
Canonical SMILES: | C#CC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H |
InChI Key: | BGMHQBQFJYJLBP-UHFFFAOYSA-N |
Boiling Point: | 223.8±23.0°C at 760 mmHg |
Melting Point: | 128°C |
Purity: | ≥95% |
Density: | 1.07±0.1 g/cm3 |
Appearance: | White to Orange to Brown Powder or Crystalline Powder |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD05664348 |
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 |
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PMID | Publication Date | Title | Journal |
21082817 | 20101228 | Molecular bridging of silicon nanogaps | ACS nano |
15819547 | 20050418 | Facile synthesis, structure, and luminescence properties of Pt(diimine)bis(arylacetylide) chromophore-donor dyads | Inorganic chemistry |
12793813 | 20030616 | Synthesis and characterization of platinum diimine bis(acetylide) complexes containing easily derivatizable aryl acetylide ligands | Inorganic chemistry |
Complexity: | 155 |
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: | 1.6 |
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