Cas no 61514-63-4 (Phenol, 4,4'-methylenebis[2-bromo-6-(1,1-dimethylethyl)-)
61514-63-4 structure
Product Name:Phenol, 4,4'-methylenebis[2-bromo-6-(1,1-dimethylethyl)-
CAS No:61514-63-4
MF:C21H26Br2O2
MW:470.237945079803
CID:476667
PubChem ID:12334674
Update Time:2025-04-19
Phenol, 4,4'-methylenebis[2-bromo-6-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-4-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methyl]-6-tert-butylphenol
- DTXSID00491070
- 61514-63-4
- 4,4'-Methylenebis(2-bromo-6-tert-butylphenol)
- Phenol, 4,4'-methylenebis[2-bromo-6-(1,1-dimethylethyl)-
-
- Inchi： 1S/C21H26Br2O2/c1-20(2,3)14-8-12(10-16(22)18(14)24)7-13-9-15(21(4,5)6)19(25)17(23)11-13/h8-11,24-25H,7H2,1-6H3
- InChI Key： PSRHZVOHRBREBB-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1O)C(C)(C)C)CC1=CC(=C(C(=C1)C(C)(C)C)O)Br
Computed Properties
- Exact Mass: 468.02998
- Monoisotopic Mass: 468.02996g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 400
- 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: 7.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Phenol, 4,4'-methylenebis[2-bromo-6-(1,1-dimethylethyl)- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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