Basic information
- CAS
23015-40-9- Standard SMILES
O=P(O)(O)Oc1cc(Br)cc(Br)c1-c1c(O)cc(Br)cc1Br- InChIKey
GGGATFRVOBEKQO-UHFFFAOYSA-N- Molecular formula
- C12H7Br4O5P
- Average molar mass
- 581.77 g/mol
- Monoisotopic mass
- 577.67646
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-2,2'-diol, 4,4',6,6'-tetrabromo-, mono(dihydrogen phosphate)
- IUPAC
- [3,5-dibromo-2-(2,4-dibromo-6-hydroxyphenyl)phenyl] dihydrogen phosphate
- English name
- 4,4',6,6'-tetrabromo-2'-hydroxy[1,1'-biphenyl]-2-yl dihydrogen phosphate
- Molecular formula
- C12H7Br4O5P
- Molecular weight
- 581.770741
Names & synonyms
Bromophenophos23015-40-9U4L04459Y3DTXSID90177573(1,1'-Biphenyl)-2,2'-diol, 4,4',6,6'-tetrabromo-, mono(dihydrogen phosphate)bromphenophosRefChem:121615DTXCID501000644,4',6,6'-tetrabromo-3,3'-biphenyldiol-2-dihydrogen phosphate3,3',5,5'-Tetrabromo-(1,1'-biphenyl)-2,2'-diol mono(dihydrogen phosphate)245-382-14,4',6,6'-Tetrabromo-2'-hydroxy[1,1'-biphenyl]-2-yl dihydrogen phosphate
Show more names
4,4',6,6'-Tetrabromo-1,1'-biphenyl-2,2'-diol 2-phosphoric acid
4,4',6,6'-Tetrabromo-2'-hydroxy(1,1'-biphenyl)-2-yl dihydrogen phosphateEINECS 245-382-1UNII-U4L04459Y34,4',6,6'-Tetrabromo-2,2'-biphenyldiol mono(dihydrogen phosphate)SCHEMBL1338225GGGATFRVOBEKQO-UHFFFAOYSA-N2,2'-Biphenyldiol, 4,4',6,6'-tetrabromo-, mono(dihydrogen phosphate)NS00048225
Database identifiers
- CAS
23015-40-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 L04459Y3 · U4L04459Y3
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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