Cas no 71905-35-6 (Octanenitrile, 8-chloro-)
Octanenitrile, 8-chloro- structure
Product Name:Octanenitrile, 8-chloro-
CAS No:71905-35-6
MF:C8H14ClN
MW:159.656461238861
CID:544841
PubChem ID:12506397
Update Time:2025-04-19
Octanenitrile, 8-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Octanenitrile, 8-chloro-
- 8-chlorooctanenitrile
- AKOS006385726
- 71905-35-6
- DTXSID60500718
-
- Inchi： 1S/C8H14ClN/c9-7-5-3-1-2-4-6-8-10/h1-7H2
- InChI Key： MLQMBTGDIYYOFL-UHFFFAOYSA-N
- SMILES： ClCCCCCCCC#N
Computed Properties
- Exact Mass: 159.08162
- Monoisotopic Mass: 159.0814771g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 103
- 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: 2.7
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Octanenitrile, 8-chloro- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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