Basic information
- CAS
2577-72-2- Standard SMILES
O=C(Nc1ccccc1)c1cc(Br)cc(Br)c1O- InChIKey
YALKQBRWLMDVSA-UHFFFAOYSA-N- Molecular formula
- C13H9Br2NO2
- Average molar mass
- 371.02 g/mol
- Monoisotopic mass
- 368.9
Names & identifiers
- Preferred name
- Metabromsalan
- IUPAC
- 3,5-dibromo-2-hydroxy-N-phenylbenzamide
- English name
- METABROMSALON
- Molecular formula
- C13H9Br2NO2
- Molecular weight
- 371.02
Names & synonyms
METABROMSALAN2577-72-23,5-DibromosalicylanilideNSC-526280Benzamide, 3,5-dibromo-2-hydroxy-N-phenyl-8Q21Y09R21DTXSID3042132NSC526280RefChem:156745DTXCID1022132219-933-1METABROMSALON
Show more names
3,5-dibromo-salicylanilid3,5-dibromosalicylanilide.Metabromsalon@100 μg/mL in MeOH3,5-dibromo-2-hydroxy-n-phenyl-benzamid
3,5-dibromo-2-hydroxy-N-phenylbenzamideTempasept III3,5-DibromosalicylideMetabromsalan (USAN)Metabromsalanum3,5-Dibromo-2-hydroxy-N-phenyl-benzamideMETABROMSALAN [USAN]Caswell No. 289
Database identifiers
- CAS
2577-72-2- PubChem CID
- 17404
- DTXSID
DTXSID3042132- ChEMBL
CHEMBL1801800- UNII
- 8Q21Y09R21
- EC Number
- 219-933-1
- Nikkaji
- J7.617A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 369.5 · 369.5±42.0 °C(Predicted)
- Density
- 1.863 · 1.863±0.06 g/cm3(Predicted)
- pka
- 5.01 · 5.01±0.23(Predicted)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 8 Q21Y09R21 · 8Q21Y09R21
- EPA Substance Registry System
- Metabromsalan (2577-72-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDisinfectant.
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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