3,4',5-Tribromosalicylanilide

C₁₃H₈Br₃NO₂CAS 87-10-5449.92 g/mol

Open in Covalent MOL file

Amide Aryl halide Phenol

Properties

Molecular formula: C₁₃H₈Br₃NO₂
Molar mass: 449.92 g/mol
Exact mass: 446.8105 Da
Melting point: 227 °C
logP: 4.93Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life50% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

87-10-5

SMILES

O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O

InChIKey

KVSKGMLNBAPGKH-UHFFFAOYSA-N

InChI

InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)

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Names and synonyms

20 names · show all

3,4′,5-Tribromosalicylanilide
Benzamide, 3,5-dibromo-N-(4-bromophenyl)-2-hydroxy-
Salicylanilide, 3,4′,5-tribromo-
3,5-Dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
3,5-Dibromo-6-hydroxybenz-p-bromanilide
Temasept II
Temasept IV
Tribromsalan
Tempasept II
3,5-Dibromosalicylic acid p-bromoanilide
Trisanyl
Vancide TBS
Sherstat TBS
Tuasal 100
Trisanil
Agramed
WR 34912
TBS
Tuasol
NSC 20526

Work with 3,4',5-Tribromosalicylanilide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3',5'-Dibromo-2'-hydroxyacetophenone22362-66-954 % similar 3,5-Dibromosalicylic acid3147-55-554 % similar Methyl 3,5-dibromosalicylate21702-79-450 % similar 2,4,6-Tribromophenol118-79-644 % similar Osalmid526-18-141 % similar 4-Bromophthalimide6941-75-940 % similar 5,7-Dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one2475-31-240 % similar Phosgene-tetrabromobisphenol A polymer bis(2,4,6-tribromophenyl) ester71342-77-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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