Cas no 54089-02-0 (Octane, 1-bromo-6-methyl-)
Octane, 1-bromo-6-methyl- structure
Product Name:Octane, 1-bromo-6-methyl-
CAS No:54089-02-0
MF:C9H19Br
MW:207.151162385941
CID:355551
PubChem ID:13548105
Update Time:2025-04-19
Octane, 1-bromo-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 1-bromo-6-methyl-
- (+-)-8-Brom-3-methyl-octan
- (+-)-8-bromo-3-methyl-octane
- 1-Brom-6-methyl-octan
- 1-bromo-6-methyl-octane
- 6-Methyloctylbromid
- AGN-PC-00N0ER
- CTK1F9585
- inaktives 8-Brom-3-methyl-octan
- brom-6-methyl octane
- SCHEMBL9150082
- 1-bromo-6-methyloctane
- 54089-02-0
- DTXSID20543500
- d-1-Bromo-6-methyloctane
-
- Inchi： 1S/C9H19Br/c1-3-9(2)7-5-4-6-8-10/h9H,3-8H2,1-2H3
- InChI Key： TWDAVWNDGHYAJZ-UHFFFAOYSA-N
- SMILES： BrCCCCCC(C)CC
Computed Properties
- Exact Mass: 206.06707
- Monoisotopic Mass: 206.06701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 61.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.0753 (estimate)
- Boiling Point: 212.49°C (estimate)
- Refractive Index: 1.4424 (estimate)
- PSA: 0
Octane, 1-bromo-6-methyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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