Cas no 10420-91-4 (1,4-HEXADIYNE)
1,4-HEXADIYNE structure
Product Name:1,4-HEXADIYNE
1,4-HEXADIYNE Chemical and Physical Properties
Names and Identifiers
-
- 1,4-HEXADIYNE
- 1,4-Hexadiyne (7CI, 8CI, 9CI)
- AC1L3EDE
- AG-D-16171
- CTK0H6936
- FT-0690900
- Hexa-1,4-diin
- Hexadiin-(1,4)
- Hexadiin-(1.4)
- hexadiyne-1,4
- KB-10627
- Methyl-propargyl-acetylen
- AKOS006237143
- hexa-1,4-diyne
- NJXXWBJAOFKNIR-UHFFFAOYSA-N
- DTXSID50146346
- 10420-91-4
- 1,4-HEXADIYNE 50% (W/W) in HEXANE
-
- Inchi： 1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3
- InChI Key： NJXXWBJAOFKNIR-UHFFFAOYSA-N
- SMILES： C(C#C)C#CC
Computed Properties
- Exact Mass: 78.04698
- Monoisotopic Mass: 78.04695
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 1.6
Experimental Properties
- Density: 0.8250
- Melting Point: 30.9°C (estimate)
- Boiling Point: 80.55°C
- Flash Point: °C
- Refractive Index: 1.4331 (estimate)
- PSA: 0
1,4-HEXADIYNE Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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