Cas no 3163-24-4 (1,3-Benzenediol,2,4,6-tribromo-5-methyl-)
3163-24-4 structure
Product Name:1,3-Benzenediol,2,4,6-tribromo-5-methyl-
CAS No:3163-24-4
MF:C7H5Br3O2
MW:360.825400114059
CID:311989
PubChem ID:76624
Update Time:2025-04-19
1,3-Benzenediol,2,4,6-tribromo-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,2,4,6-tribromo-5-methyl-
- 2,4,6-tribromo-5-methylbenzene-1,3-diol
- AKOS024431319
- 2,4,6-tribromo-5-methyl-1,3-benzenediol
- Resorcinol, 5-methyl-2,4,6-tribromo-
- 2,4,6-Tribromo-5-methyl-resorcinol
- 2-06-00-00877 (Beilstein Handbook Reference)
- DTXSID70185510
- 3163-24-4
- Tribromorcin
- BRN 2263405
- SCHEMBL13964614
-
- Inchi： 1S/C7H5Br3O2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H,1H3
- InChI Key： LGNJOSCBEAIVNB-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1C)Br)O)Br)O
Computed Properties
- Exact Mass: 357.78385
- Monoisotopic Mass: 357.784
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- 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: 40.5A^2
- XLogP3: 3.6
Experimental Properties
- Density: 2.387
- Boiling Point: 279.5°Cat760mmHg
- Flash Point: 122.8°C
- Refractive Index: 1.692
- PSA: 40.46
1,3-Benzenediol,2,4,6-tribromo-5-methyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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