3,4,5-Tribromosalicylanilide
Basic information
- CAS
24556-65-8- Standard SMILES
O=C(Nc1ccccc1)c1cc(Br)c(Br)c(Br)c1O- InChIKey
WLYIIDKKPCXCLS-UHFFFAOYSA-N- Molecular formula
- C13H8Br3NO2
- Average molar mass
- 449.92 g/mol
- Monoisotopic mass
- 446.81052
Names & identifiers
- Preferred name
- 3,4,5-Tribromosalicylanilide
- IUPAC
- 3,4,5-tribromo-2-hydroxy-N-phenylbenzamide
Names & synonyms
3,4,5-TribromosalicylanilideEINECS 246-311-724556-65-8DTXSID90179294RefChem:909013,4,5TribromosalicylanilideDTXCID20101785246-311-73,4,5-tribromo-2-hydroxy-n-phenylbenzamideSalicylanilide, 3,4,5-tribromo-9EPJ5VL5BWBenzamide, 3,4,5-tribromo-2-hydroxy-N-phenyl-
Show more names
3,5,4-TribromosalicylanilideSCHEMBL229763SCHEMBL29474808WLYIIDKKPCXCLS-UHFFFAOYSA-NAKOS024421508DB-365732NS000276903,4,5-TRIBROMO-2-HYDROXY-N-PHENYL-BENZAMIDE
Database identifiers
- CAS
24556-65-8- PubChem CID
- 90539
- DTXSID
DTXSID90179294- UNII
- 9EPJ5VL5BW
- EC Number
- 246-311-7
- Nikkaji
- J167.616D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Salicylanilides
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards Summary
The halogenated salicylanilides may cause photoallergic contact dermatitis (PACD). Patients with PACD note the appearance of a eczematous rash, usually on the face, neck, dorsum of the hands, and sun-exposed areas on the arms with sparing of areas under the chin and upper eyelids. [LaDou, p. 334]
Toxicology
Adverse EffectsDermatotoxin - PACD (photoallergic contact dermatitis).
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…