Cas no 4247-19-2 (1,2,6,7-DIEPOXYHEPTANE)
1,2,6,7-DIEPOXYHEPTANE structure
Product Name:1,2,6,7-DIEPOXYHEPTANE
1,2,6,7-DIEPOXYHEPTANE Chemical and Physical Properties
Names and Identifiers
-
- 1,2,6,7-DIEPOXYHEPTANE
- 2-[3-(oxiran-2-yl)propyl]oxirane
- HEPTANE, 1,2:6,7-DIEPOXY-
- Oxirane, 2,2'-(1,3-propanediyl)bis-
- A825912
- UNII-8EYR8YME5M
- Q27270270
- 4247-19-2
- 1,3-DI(OXIRAN-2-YL)PROPANE
- 1,2:6,7-Diepoxyheptane
- SCHEMBL441939
- DTXSID50962508
- 2,2'-(1,3-PROPANEDIYL)BIS(OXIRANE)
- 2,2'-(Propane-1,3-diyl)bis(oxirane)
- BRN 0104311
- 2,2'-(TRIMETHYLENE)BISOXIRANE
- 8EYR8YME5M
- AKOS006277668
- J36.955A
- 4-19-00-00125 (Beilstein Handbook Reference)
-
- Inchi： 1S/C7H12O2/c1(2-6-4-8-6)3-7-5-9-7/h6-7H,1-5H2
- InChI Key： QWWBCQNZFMNNKJ-UHFFFAOYSA-N
- SMILES： O1CC1CCCC1CO1
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 91.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.7
- Topological Polar Surface Area: 25.1A^2
Experimental Properties
- Density: 0.9805 (rough estimate)
- Boiling Point: 177.6°C (rough estimate)
- Flash Point: 67.4°C
- Refractive Index: 1.4500 (estimate)
- PSA: 25.06
1,2,6,7-DIEPOXYHEPTANE Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
4247-19-2 (1,2,6,7-DIEPOXYHEPTANE) Related Products
- 104898-06-8((2R)-2-butyloxirane)
- 2855-19-8(1,2-Epoxydodecane)
- 2984-50-1(1,2-Epoxyoctane)
- 3234-28-4(1,2-epoxytetradecane)
- 1436-34-6(1,2-epoxyhexane)
- 2404-44-6(1,2-Epoxydecane)
- 2426-07-5(1,2,7,8-Diepoxyoctane)
- 7320-37-8(1,2-Epoxyhexadecane)
- 286-99-7(13-Oxabicyclo[10.1.0]tridecane)
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