Cas no 61290-98-0 (Benzene, 1,3,5-trimethyl-2,4,6-tris[(2,4,6-tribromophenoxy)methyl]-)
![Benzene, 1,3,5-trimethyl-2,4,6-tris[(2,4,6-tribromophenoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/61500/61290-98-0x500.png)
61290-98-0 structure
Product Name:Benzene, 1,3,5-trimethyl-2,4,6-tris[(2,4,6-tribromophenoxy)methyl]-
CAS No:61290-98-0
MF:C30H21Br9O3
MW:1148.62194228172
CID:485646
PubChem ID:71397361
Update Time:2025-04-19
Benzene, 1,3,5-trimethyl-2,4,6-tris[(2,4,6-tribromophenoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3,5-trimethyl-2,4,6-tris[(2,4,6-tribromophenoxy)methyl]-
- 1,3,5-trimethyl-2,4,6-tris[(2,4,6-tribromophenoxy)methyl]benzene
- 61290-98-0
- DTXSID80818867
- 1,1',1''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methyleneoxy)]tris(2,4,6-tribromobenzene)
-
- Inchi： 1S/C30H21Br9O3/c1-13-19(10-40-28-22(34)4-16(31)5-23(28)35)14(2)21(12-42-30-26(38)8-18(33)9-27(30)39)15(3)20(13)11-41-29-24(36)6-17(32)7-25(29)37/h4-9H,10-12H2,1-3H3
- InChI Key： YIOGWOILGFKWJB-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1OCC1C(C)=C(COC2C(=CC(=CC=2Br)Br)Br)C(C)=C(COC2C(=CC(=CC=2Br)Br)Br)C=1C)Br)Br
Computed Properties
- Exact Mass: 1139.41383
- Monoisotopic Mass: 1139.41411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 42
- Rotatable Bond Count: 9
- Complexity: 685
- 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: 13.6
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
Benzene, 1,3,5-trimethyl-2,4,6-tris[(2,4,6-tribromophenoxy)methyl]- Related Literature
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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