Cas no 1426-87-5 (Benzene,1-fluoro-2,4-bis(1-methylethyl)-)
1426-87-5 structure
Product Name:Benzene,1-fluoro-2,4-bis(1-methylethyl)-
Benzene,1-fluoro-2,4-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-fluoro-2,4-bis(1-methylethyl)-
- 2,4-Diisopropylfluorobenzene
- 1-fluoro-2,4-di(propan-2-yl)benzene
- DTXSID00162096
- SCHEMBL739918
- 1426-87-5
-
- Inchi： 1S/C12H17F/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9H,1-4H3
- InChI Key： AHARHPAMHWFYLJ-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C=C1C(C)C)C(C)C
Computed Properties
- Exact Mass: 180.13151
- Monoisotopic Mass: 180.131429
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 151
- 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
- Topological Polar Surface Area: 0
- XLogP3: 4.3
Experimental Properties
- Density: 0.93
- Boiling Point: 194.1°Cat760mmHg
- Flash Point: 63.4°C
- Refractive Index: 1.475
- PSA: 0
Benzene,1-fluoro-2,4-bis(1-methylethyl)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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