Cas no 85117-86-8 (Phenol,3-bromo-2,4,6-trichloro-)
85117-86-8 structure
Product Name:Phenol,3-bromo-2,4,6-trichloro-
CAS No:85117-86-8
MF:C6H2BrCl3O
MW:276.342478275299
CID:734220
PubChem ID:3020367
Update Time:2025-04-19
Phenol,3-bromo-2,4,6-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-bromo-2,4,6-trichloro-
- 3-bromo-2,4,6-trichlorophenol
- NS00038783
- 85117-86-8
- DTXSID90234231
- EINECS 285-636-9
- Phenol, 3-bromo-2,4,6-trichloro-
-
- Inchi： 1S/C6H2BrCl3O/c7-4-2(8)1-3(9)6(11)5(4)10/h1,11H
- InChI Key： WCSDJPCZARJMHN-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(=C1Cl)O)Cl)Cl
Computed Properties
- Exact Mass: 273.83546g/mol
- Monoisotopic Mass: 273.83546g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 146
- 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: 4.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 2.1430 (rough estimate)
- Boiling Point: 305.36°C (rough estimate)
- Refractive Index: 1.5460 (estimate)
Phenol,3-bromo-2,4,6-trichloro- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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