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![1-[(2-Propynyloxy)methyl]pyrene](/upload/banner/product-default.jpg)
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1-[(2-Propynyloxy)methyl]pyrene | 1115084-83-7
| Catelog Number | F08-0016 |
| Category | Pyrene |
| Molecular Formula | C20H14O |
| Molecular Weight | 270.33 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| F08-0016 | -- | $-- |
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Chemical Information |
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|---|---|
| Synonyms | 1-(prop-2-ynoxymethyl)pyrene; 1-(Propargyloxymethyl)pyrene; 1-[(Propargyloxy)methyl]pyrene |
| Purity | >98.0%(GC) |
| IUPAC Name | 1-(prop-2-ynoxymethyl)pyrene |
| Canonical SMILES | C#CCOCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChI | InChI=1S/C20H14O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h1,3-11H,12-13H2 |
| InChI Key | PHLBHJYVJNAPAY-UHFFFAOYSA-N |
| Appearance | Solid |
| Melting Point | 85 °C |
Product Specification |
|
|---|---|
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
| Precautionary Statement Codes | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Computed Properties | |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 270.104465066 g/mol |
| Monoisotopic Mass | 270.104465066 g/mol |
| Topological Polar Surface Area | 9.2Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 419 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-10669250-B2 | Hypervalent iodine CF2CF2X reagents and their use | 2014-08-07 |
| US-2019040036-A1 | Hypervalent iodine cf2cf2x reagents and their use | 2014-08-07 |
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