1-[(2-Propynyloxy)methyl]pyrene

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1-[(2-Propynyloxy)methyl]pyrene

1-[(2-Propynyloxy)methyl]pyrene | 1115084-83-7

Catalog 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
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 NumberTitlePriority 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

Applications of Fluorescent Probes & Dyes

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