Phenol, 2,4,5-tribromo-
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Basic information
- CAS
14401-61-7- Standard SMILES
Oc1cc(Br)c(Br)cc1Br- InChIKey
XPUSKKJATQFMBF-UHFFFAOYSA-N- Molecular formula
- C6H3Br3O
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 327.7734
Names & identifiers
- Preferred name
- Phenol, 2,4,5-tribromo-
- IUPAC
- 2,4,5-tribromophenol
- English name
- 2,4,5-TRIBROMOPHENOL
- Molecular formula
- C6H3Br3O
- Molecular weight
- 330.8
Names & synonyms
2,4,5-Tribromophenol14401-61-7Phenol, 2,4,5-tribromo-DTXSID30162600RefChem:368896DTXCID90850912,4,5-tribromo-phenolMFCD09037674Phenol, 2,4,5-tribromo-; 2,4,5-TribromophenolSCHEMBL4048113SCHEMBL12817457DB-216664
Show more names
2,4,5-Tribromophenol@100 μg/mL in Toluene
NS00077007E89131
Database identifiers
- CAS
14401-61-7- PubChem CID
- 32931
- DTXSID
DTXSID30162600- Nikkaji
- J787.047G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- solubility
- Chloroform (Soluble), DMSO (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses2,4,5-Tribromophenol is a standard for environmental testing and research. Determination of urinary bromophenols (BrPs) as potential biomarkers for human exposure to polybrominated di-Ph ethers (PBDEs) using gas chromatography-tandem mass spectrometry (GC-MS/MS). Study of the inhibitory potency of BDE-47 and BDE-99 towards CYP2B6-mediated metabolism of bupropion in human liver microsomes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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