Cas no 55000-55-0 (7-butyl-1-hexylnaphthalene)
7-butyl-1-hexylnaphthalene structure
Product Name:7-butyl-1-hexylnaphthalene
CAS No:55000-55-0
MF:C20H28
MW:268.436326026917
CID:1592525
PubChem ID:521561
Update Time:2025-04-21
7-butyl-1-hexylnaphthalene Chemical and Physical Properties
Names and Identifiers
-
- 7-butyl-1-hexylnaphthalene
- naphthalene, 7-butyl-1-hexyl-
- 55000-55-0
- DTXSID30334683
- DB-318302
- 7-Butyl-1-hexylnaphthalene #
- LPEFBGSLSJQKAH-UHFFFAOYSA-N
-
- Inchi： 1S/C20H28/c1-3-5-7-8-11-18-12-9-13-19-15-14-17(10-6-4-2)16-20(18)19/h9,12-16H,3-8,10-11H2,1-2H3
- InChI Key： LPEFBGSLSJQKAH-UHFFFAOYSA-N
- SMILES： C(CCCC)CC1C=CC=C2C=CC(=CC=12)CCCC
Computed Properties
- Exact Mass: 268.21924
- Monoisotopic Mass: 268.219100893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 244
- 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: 8
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.9450 (rough estimate)
- Boiling Point: 346.6°C (rough estimate)
- Flash Point: 205.6°C
- Refractive Index: 1.5500 (estimate)
- PSA: 0
7-butyl-1-hexylnaphthalene Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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