Bromochlorosalicylanilide
Basic information
- CAS
3679-64-9- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1O- InChIKey
QBSGXIBYUQJHMJ-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO2
- Average molar mass
- 326.57 g/mol
- Monoisotopic mass
- 324.95052
Overview
Bromochlorosalicylanilide is a member of benzamides.
Names & identifiers
- Preferred name
- Bromochlorosalicylanilide
- IUPAC
- 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide
- English name
- 5-BROMO-4'-CHLOROSALICYLANILIDE
- Molecular formula
- C13H9BrClNO2
- Molecular weight
- 326.57
Names & synonyms
5-Bromo-4'-chlorosalicylanilide3679-64-95-Bromo-N-(4-chlorophenyl)-2-hydroxybenzamideBromochlorosalicylanilideSalifungenSalifunginBromosalicylchloranilideclobromsalanBenzamide, 5-bromo-N-(4-chlorophenyl)-2-hydroxy-5-Bromosalicyl-4-chloroanilideSalicylanilide, 5-bromo-4'-chloro-EINECS 222-957-5
Show more names
MultifunginBromosalicylMultifungin, 10 mM in DMSO4'-chloro-5-bromo SalicylanilideN-5-Bromosalicyloyl-p-chloroaniline5-Bromo-4'-chlorosalicylanilide >
6GK715PWMQNSC 526297NSC-526297BROMOSALICYCHLORANILIDINE5-Bromosalicyl-4'-chloranilideDTXSID80190256BROMOSALICYLCHLORANILIDE [MI]5-BROMOSALICYL-4'-CHLOROANILIDE
Database identifiers
- CAS
3679-64-9- PubChem CID
- 77254
- DTXSID
DTXSID80190256- ChEMBL
CHEMBL153192- ChEBI
CHEBI:135394- UNII
- 6GK715PWMQ
- EC Number
- 222-957-5
- Nikkaji
- J8.199J
Properties
Computed structural properties
- XLogP
- 4.6
- 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
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Salicylanilides
LogP5.02
Physicochemical properties
- Melting point
- 246 °C · 246 °C
- Boiling point
- 372.8 · 372.8±42.0 °C(Predicted)
- Density
- 1.675 · 1.675±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- almost transparency in hot Acetone
- form
- powder to crystal
- pka
- 7.57 · 7.57±0.43(Predicted)
- color
- White to Almost white
- Merck
- 14 · 14,1435
- CAS DataBase Reference
- 3679 · 3679-64-9
- FDA UNII
- 6 GK715PWMQ · 6GK715PWMQ
- ATC code
- 1 AE01 · D01AE01
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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]
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Toxicology
Adverse EffectsDermatotoxin - PACD (photoallergic contact dermatitis).
Safety data
- hs_code
- 2924.29.7790
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
QD - Dermatologicals
Uses & manufacturing
UsesUsed as an antifungal agent; [ChemIDplus]
Applications
UsesMultifungin (Bromochlorosalicylanilide) is an antifungal that treats oral candidiasis[1]. Multifungin prevents the formation and accumulation of Zearalenone and reduces the fungal population in stored-crushed corn[2].
Additional notes
DefinitionChEBI: Bromochlorosalicylanilide is a member of benzamides.
Suppliers
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Related reactions
2 records
Compound notes
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