Cas no 5398-62-9 (Undecane,6-butyl-6-chloro-)
Undecane,6-butyl-6-chloro- structure
Product Name:Undecane,6-butyl-6-chloro-
CAS No:5398-62-9
MF:C15H31Cl
MW:246.859644174576
CID:385094
PubChem ID:220957
Update Time:2025-04-19
Undecane,6-butyl-6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Undecane,6-butyl-6-chloro-
- 6-butyl-6-chloroundecane
- NSC-4526
- DTXSID40277855
- 5398-62-9
- NSC4526
-
- Inchi： 1S/C15H31Cl/c1-4-7-10-13-15(16,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3
- InChI Key： KIKMZPHFJLZHMW-UHFFFAOYSA-N
- SMILES： ClC(CCCC)(CCCCC)CCCCC
Computed Properties
- Exact Mass: 246.21163
- Monoisotopic Mass: 246.211
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 132
- 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: 7.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.858
- Boiling Point: 302.9°Cat760mmHg
- Flash Point: 125.9°C
- Refractive Index: 1.443
- PSA: 0
Undecane,6-butyl-6-chloro- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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