4911-55-1

Basic information

• Product Name: 1,3-Pentadiyne
• Synonyms: 1,3-Pentadiyne
• CAS NO: 4911-55-1
• Molecular Formula: C₅H₄
• Molecular Weight: 64.09
• Mol File: 4911-55-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: -38.5°C
• Boiling Point: 55.55°C
• Flash Point: °C
• Appearance: /
• Density: 0.7909
• Vapor Pressure: 248mmHg at 25°C
• Refractive Index: 1.4431
• CAS DataBase Reference: 1,3-Pentadiyne(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Pentadiyne(4911-55-1)
• EPA Substance Registry System: 1,3-Pentadiyne(4911-55-1)

Safety Data

• Hazardous Substances Data: 4911-55-1(Hazardous Substances Data)

Usage

Safety Profile

Explodes easily on distillation at atmospheric pressure. When heated to decomposition it emits acrid smoke and irritating fumes.

InChI:InChI=1/C5H4/c1-3-5-4-2/h1H,2H3

Upstream product

• 460-12-8 Butadiyne 
• 61204-14-6 3,-pyridylmethyl radical 
• 3731-53-1 4-(aminomethyl)pyridine 
• 3731-51-9 2-(Aminomethyl)pyridine 
• 75-89-8 2,2,2-trifluoroethanol 
• 74142-33-9 1-(1-Propinyl)vinyl-triflat 
• 64-17-5 ethanol 

Downstream Products

• 6071-46-1 dec-2c-ene-4,6,8-triyn-1-ol 
• 24442-76-0 Decatetrain-(2.4.6.8) 
• 6071-16-5 (E)-2-decene-4,6,8-triyn-1-ol 
• 40201-94-3 1-bromopenta-1,3-diyne 
• 1574-95-4 1-phenyl-2,4-hexadiyn-1-ol 
• 30314-58-0 1,1,3,5-Tetrakis-trimethylsilanyl-penta-1,2-dien-4-yne 
• 41898-94-6 1,1,3,5-Tetrakis-(ethyl-dimethyl-silanyl)-penta-1,2-dien-4-yne 
• 6085-25-2 1-Chlor-3-methylmercapto-octadiin-(4.6) 
• 7199-97-5 dec-2t-ene-4,6,8-triynoic acid 
• 2258-71-1 octa-2,4,6-triynal 
• 5705-87-3 Tetradecen-(6)-triin-(8,10,12)-diol-(1,5) 
• 6797-24-6 3-(3-nitro-phenyl)-5-prop-1-ynyl-isoxazole 
• 3930-17-4 Dehydromatricarianol 
• 520-74-1 capillene 

Relevant articles and documents

Decomposition of Picolyl Radicals at High Temperature: A Mass Selective Threshold Photoelectron Spectroscopy Study

The reaction products of the picolyl radicals at high temperature were characterized by mass-selective threshold photoelectron spectroscopy in the gas phase. Aminomethylpyridines were pyrolyzed to initially produce picolyl radicals (m/z=92). At higher temperatures further thermal reaction products are generated in the pyrolysis reactor. All compounds were identified by mass-selected threshold photoelectron spectroscopy and several hitherto unexplored reactive molecules were characterized. The mechanism for several dissociation pathways was outlined in computations. The spectrum of m/z=91, resulting from hydrogen loss of picolyl, shows four isomers, two ethynyl pyrroles with adiabatic ionization energies (IEad) of 7.99 eV (2-ethynyl-1H-pyrrole) and 8.12 eV (3-ethynyl-1H-pyrrole), and two cyclopentadiene carbonitriles with IE′s of 9.14 eV (cyclopenta-1,3-diene-1-carbonitrile) and 9.25 eV (cyclopenta-1,4-diene-1-carbonitrile). A second consecutive hydrogen loss forms the cyanocyclopentadienyl radical with IE′s of 9.07 eV (T0) and 9.21 eV (S1). This compound dissociates further to acetylene and the cyanopropynyl radical (IE=9.35 eV). Furthermore, the cyclopentadienyl radical, penta-1,3-diyne, cyclopentadiene and propargyl were identified in the spectra. Computations indicate that dissociation of picolyl proceeds initially via a resonance-stabilized seven-membered ring.

VINYL CATIONS 33: 1-ALKENE-3-YNE-2-YL TRIFLATES, PRECURSORS OF TRIPLE BOND STABILIZED VINYL CATIONS-SYNTHESIS AND FIRST SOLVOLYTIC STUDIES.

The α-alkynyl vinyl triflates (3) are synthesized and the solvolyses reactions studied in different solvents.The solvolysis products and kinetic data indicate, that the hitherto unknown triple bond stabilized vinyl cation 2a 2b is formed as an intermediate.