Cas no 55133-10-3 (Phenol, 3,4,5-tribromo-2,6-dimethyl-)
55133-10-3 structure
Product Name:Phenol, 3,4,5-tribromo-2,6-dimethyl-
CAS No:55133-10-3
MF:C8H7Br3O
MW:358.852580308914
CID:352746
PubChem ID:13072872
Update Time:2025-04-19
Phenol, 3,4,5-tribromo-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3,4,5-tribromo-2,6-dimethyl-
- 3,4,5-tribromo-2,6-dimethylphenol
- 55133-10-3
- Tribromxylenole
- SCHEMBL9171336
- DTXSID20517362
-
- Inchi： 1S/C8H7Br3O/c1-3-5(9)7(11)6(10)4(2)8(3)12/h12H,1-2H3
- InChI Key： NVQZOERLEJLIEJ-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(C)=C(C=1C)O)Br)Br
Computed Properties
- Exact Mass: 355.80461
- Monoisotopic Mass: 355.80470g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 148
- 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: 4.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 3,4,5-tribromo-2,6-dimethyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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