Cas no 6088-96-6 (Benzene,1,4-pentadiyn-1-yl-)
Benzene,1,4-pentadiyn-1-yl- structure
Product Name:Benzene,1,4-pentadiyn-1-yl-
Benzene,1,4-pentadiyn-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,4-pentadiyn-1-yl-
- 1,4-PENTADIYNYLBENZENE
- Benzene, 1,4-pentadiynyl- (9CI)
- penta-1,4-diynylbenzene
- (penta-1,4-diynyl)benzene
- 1-Phenyl-1,4-pentadiin
- 1-phenyl-1,4-pentadiyne
- 1-Phenyl-penta-1,4-diin
- 1-Phenyl-pentadiin-(1,4)
- AC1L7LUL
- CTK5B2404
- NSC222834
- Penta-1,4-diinyl-benzol
- penta-1,4-diynyl-benzene
- QPCKXALBLLVOLL-UHFFFAOYSA-
- SBB068847
-
- Inchi： 1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3H2
- InChI Key： QPCKXALBLLVOLL-UHFFFAOYSA-N
- SMILES： C1(C#CCC#C)C=CC=CC=1
Computed Properties
- Exact Mass: 140.06264
- Monoisotopic Mass: 140.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 208
- 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
- XLogP3: 2.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.99
- Boiling Point: 223.8°C at 760 mmHg
- Flash Point: 77.8°C
- Refractive Index: 1.564
- PSA: 0
Benzene,1,4-pentadiyn-1-yl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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