Tribromomethyl phenyl sulfone

C7H5Br3O2SCAS 17025-47-7392.89 g/mol

Open in Covalent MOL file
OSOBrBrBr
Alkyl halideSulfone

Properties

Molecular formula
C7H5Br3O2S
Molar mass
392.89 g/mol
Exact mass
389.7560 Da
Melting point
147 °C
logP
3.26Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17025-47-7
SMILES
O=S(=O)(c1ccccc1)C(Br)(Br)Br
InChIKey
DWWMSEANWMWMCB-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H

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Names and synonyms

8 names
  • Benzene, [(tribromomethyl)sulfonyl]-
  • Sulfone, phenyl tribromomethyl
  • [(Tribromomethyl)sulfonyl]benzene
  • Phenyl tribromomethyl sulfone
  • α,α,α-Tribromomethyl phenyl sulfone
  • BMPS
  • BMPS (sulfone)
  • TPS

Work with Tribromomethyl phenyl sulfone

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

2-Pyridyl tribromomethyl sulfone59626-33-452 % similar Diphenyl sulfone127-63-944 % similar N-Fluorobenzenesulfonimide133745-75-240 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-439 % similar Methyl phenyl sulfone3112-85-439 % similar Bis(phenylsulfonyl)methane3406-02-839 % similar Benzenesulfonyl fluoride368-43-439 % similar Benzenesulfonyl chloride98-09-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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