Basic information
- CAS
21951-40-6- Standard SMILES
Oc1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1O- InChIKey
NXBKBCZEXWIAML-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O2
- Average molar mass
- 324 g/mol
- Monoisotopic mass
- 321.91219
Names & identifiers
- Preferred name
- 3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol
- IUPAC
- 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol
- English name
- 3,3',5,5'-tetrabromo[1,1'-biphenyl]-2,2'-diol
- Molecular formula
- C12H6Br4O2
- Molecular weight
- 501.79084
Names & synonyms
21951-40-63,3',5,5'-Tetrachloro-[1,1'-biphenyl]-2,2'-diol3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol3,3',5,5'-tetrabromo[1,1'-biphenyl]-2,2'-diol2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenolAY9A32Y8353,3',5,5'-Tetrabromo(1,1'-biphenyl)-2,2'-diolUNII-AY9A32Y835SCHEMBL8071292DTXSID10176361NXBKBCZEXWIAML-UHFFFAOYSA-NEINECS 244-679-3
Show more names
3,3',5,5'-Tetrachlorobiphenyl-2,2'-diol
4,4',6,6'-Tetrachloro-o,o'-biphenolNS000270043,3',5,5'-TETRACHLORO-2,2'-DIPHENOL3,3',5,5'-TETRACHLORO-2,2'-BIPHENYLDIOL3,3',5,5'-Tetrachloro[1,1'-biphenyl]-2,2'-diolQ272741862,2'-BIPHENYLDIOL, 3,3',5,5'-TETRACHLORO-2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)phenol
Database identifiers
- CAS
21951-40-6- PubChem CID
- 89115
- DTXSID
DTXSID10176361- UNII
- AY9A32Y835
- EC Number
- 244-679-3
- Nikkaji
- J225.491C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 9 A32Y835 · AY9A32Y835
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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