Cas no 36903-04-5 (Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2,4,6-tribromo-)
![Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2,4,6-tribromo- structure](https://ossimg.kuujia.com/scimg/37000/36903-04-5x500.png)
36903-04-5 structure
Product Name:Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2,4,6-tribromo-
CAS No:36903-04-5
MF:C16H12Br6O2
MW:715.689280509949
CID:1480053
PubChem ID:19862026
Update Time:2025-04-21
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2,4,6-tribromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2,4,6-tribromo-
- 1,3,5-tribromo-2-[4-(2,4,6-tribromophenoxy)butoxy]benzene
- 1,1'-[Butane-1,4-diylbis(oxy)]bis(2,4,6-tribromobenzene)
- SCHEMBL9240974
- DTXSID70600692
- 36903-04-5
-
- Inchi： 1S/C16H12Br6O2/c17-9-5-11(19)15(12(20)6-9)23-3-1-2-4-24-16-13(21)7-10(18)8-14(16)22/h5-8H,1-4H2
- InChI Key： GKZXHDFDIJVMMA-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1OCCCCOC1C(=CC(=CC=1Br)Br)Br)Br)Br
Computed Properties
- Exact Mass: 709.59356
- Monoisotopic Mass: 709.59376g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 317
- 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: 8.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2,4,6-tribromo- Related Literature
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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