Cas no 62016-79-9 (Heptacosane,1-chloro)
Heptacosane,1-chloro structure
Product Name:Heptacosane,1-chloro
CAS No:62016-79-9
MF:C27H55Cl
MW:415.178608179092
CID:955984
PubChem ID:545593
Update Time:2025-04-19
Heptacosane,1-chloro Chemical and Physical Properties
Names and Identifiers
-
- Heptacosane,1-chloro
- 62016-79-9
- DTXSID70873081
- 1-Chloroheptacosane
- SHDKPHGPBNHILS-UHFFFAOYSA-N
- Heptacosane, 1-chloro-
- SCHEMBL5575243
- 1-Chloroheptacosane #
-
- Inchi： 1S/C27H55Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h2-27H2,1H3
- InChI Key： SHDKPHGPBNHILS-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCCCCCCCCCCCCCCCCl
Computed Properties
- Exact Mass: 414.39955
- Monoisotopic Mass: 414.3992294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 28
- Rotatable Bond Count: 25
- Complexity: 251
- 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: 15
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.8871 (rough estimate)
- Melting Point: 62°C
- Boiling Point: 502.25°C (rough estimate)
- Refractive Index: 1.4722 (estimate)
- PSA: 0
Heptacosane,1-chloro Related Literature
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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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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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