Cas no 31294-93-6 (Heptane, 4-iodo-)
Heptane, 4-iodo- structure
Product Name:Heptane, 4-iodo-
Heptane, 4-iodo- Chemical and Physical Properties
Names and Identifiers
-
- Heptane, 4-iodo-
- 4-Iodoheptane
- DTXSID70185212
- SCHEMBL1002390
- OQRWLPBTVGINDN-UHFFFAOYSA-N
- 31294-93-6
-
- Inchi： 1S/C7H15I/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
- InChI Key： OQRWLPBTVGINDN-UHFFFAOYSA-N
- SMILES： IC(CCC)CCC
Computed Properties
- Exact Mass: 226.02145
- Monoisotopic Mass: 226.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 37.7
- 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: 4.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.384
- Boiling Point: 185°C at 760 mmHg
- Flash Point: 65°C
- Refractive Index: 1.492
- PSA: 0
Heptane, 4-iodo- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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
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