HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

4,5-Dibromosalicylanilide

HCID 90538
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
24556-64-7
Standard SMILES
O=C(Nc1ccccc1)c1cc(Br)c(Br)cc1O
InChIKey
NLQGPXRZRKLYEC-UHFFFAOYSA-N
Molecular formula
C13H9Br2NO2
Average molar mass
371.02 g/mol
Monoisotopic mass
368.9

Names & identifiers

Preferred name
4,5-Dibromosalicylanilide
IUPAC
4,5-dibromo-2-hydroxy-N-phenylbenzamide
English name
4,5-dibromosalicylanilide
Molecular formula
C13H9Br2NO2
Molecular weight
371.02

Names & synonyms

4,5-DibromosalicylanilideBenzamide, 4,5-dibromo-2-hydroxy-N-phenyl-EINECS 246-310-1UNII-O9132GM66HO9132GM66HDTXSID6066999DIBROMOSALICYLANILIDE, 4-5-RefChem:964444,5DibromosalicylanilideDTXCID8037095Benzamide, 4,5dibromo2hydroxyNphenyl246-310-1
Show more names
4,5-Dibromo-2-hydroxybenzanilide
24556-64-74,5-dibromo-2-hydroxy-n-phenylbenzamide4,5-DibromsalicylanilidSCHEMBL2809022NLQGPXRZRKLYEC-UHFFFAOYSA-NNS00027689Q27285496

Database identifiers

CAS
24556-64-7
PubChem CID
90538
DTXSID
DTXSID6066999
UNII
O9132GM66H
EC Number
246-310-1
Nikkaji
J167.602D

Properties

Computed structural properties

XLogP
4.7
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

Physicochemical properties

FDA UNII
9132 GM66H · O9132GM66H
EPA Substance Registry System
4 · Benzamide, 4,5-dibromo-2-hydroxy-N-phenyl- (24556-64-7)
TSCA
TSCA listed

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 · 1 item

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).

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzamide, 4,5-dibromo-2-hydroxy-N-phenyl-: INACTIVE

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes