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1,3-Pentadiyne
[CAS# 4911-55-1]

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CAS#: 4911-55-1
Product: 1,3-Pentadiyne
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Identification
Name 1,3-Pentadiyne
Synonyms Ch3c.Equiv.Cc.Equiv.Ch; 1,3-Pentadiyne; Inchi=1/C5h4/C1-3-5-4-2/H1h,2H
Molecular Structure CAS#: 4911-55-1, 1,3-Pentadiyne
Molecular Formula C5H4
Molecular Weight 64.09
CAS Registry Number 4911-55-1 (2402-06-4;2511-95-7;24442-69-1)
SMILES CC#CC#C
InChI 1S/C5H4/c1-3-5-4-2/h1H,2H3
InChIKey VNMDYSSJFJFEQI-UHFFFAOYSA-N
Properties
Density 0.752g/cm3 (Cal.)
Boiling point 31.69°C at 760 mmHg (Cal.)
Flash point -53.924°C (Cal.)
References
(1) Heinz D. Roth and Ronald R. Sauers. Radical cations and triplet states of 1,2-disubstituted cyclopropanes: comparison of potential surfaces, Photochem. Photobiol. Sci., 2012, 11, 931.
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