4'-Bromosalicylanilide
Basic information
- CAS
2627-77-2- Standard SMILES
O=C(Nc1ccc(Br)cc1)c1ccccc1O- InChIKey
DKQMTUHJJPFJRL-UHFFFAOYSA-N- Molecular formula
- C13H10BrNO2
- Average molar mass
- 292.13 g/mol
- Monoisotopic mass
- 290.98949
Overview
photoproduct from UV-irradiation of tribromsalan; structure
Names & identifiers
- Preferred name
- 4'-Bromosalicylanilide
- IUPAC
- N-(4-bromophenyl)-2-hydroxybenzamide
- English name
- 4'-Bromosalicylanilide
- Molecular formula
- C13H10BrNO2
- Molecular weight
- 292.13
Names & synonyms
4'-Bromosalicylanilide2627-77-2Benzamide, N-(4-bromophenyl)-2-hydroxy-WB01387L4FNSC-526279DTXSID80180899RefChem:911730DTXCID70103390n-(4-bromophenyl)-2-hydroxybenzamideMFCD00059615NSC526279N-(4-bromophenyl)-2-hydroxy-benzamide
Show more names
bromosalicylanilideSalicylanilide,4’-bromo-4'-Bromosalicylanilide >4’-Monobromosalicylanilide4′-Bromosalicylanilide, CAS 2627-77-2Benzamide,N-(4-bromophenyl)-2-hydroxy-
N-(4-Bromo-phenyl)-2-hydroxy-benzamideUNII-WB01387L4FNSC 526279CBMicro_029160Cambridge id 5554232Oprea1_134121CHEMBL218954'-Bromo-2-hydroxybenzanilide
Database identifiers
- CAS
2627-77-2- PubChem CID
- 75817
- DTXSID
DTXSID80180899- ChEMBL
CHEMBL21895- UNII
- WB01387L4F
- Nikkaji
- J208.071K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP4.51
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 338.3 · 338.3±27.0 °C(Predicted)
- Density
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- pka
- 8.27 · 8.27±0.30(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- FDA UNII
- 1387 L4F · WB01387L4F
- HS Code
- 2924.29 · 2924.29.7790
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
- hs_code
- 2924.29.7790
Suppliers
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Related reactions
1 records
Compound notes
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