Phenol, 4,4′-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, sodium salt (1:1)

C19H9Br4NaO5SCAS 62625-28-9691.94 g/mol

O−BrBrHOBrOSOOBrNa+
Aryl halidePhenolSulfonate ester

Properties

Molecular formula
C19H9Br4NaO5S
Molar mass
691.94 g/mol
Exact mass
687.6802 Da
logP
5.78Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Identifiers

CAS number
62625-28-9
SMILES
[O-]c1c(Br)cc(C2(c3cc(Br)c(O)c(Br)c3)c3ccccc3OS2(=O)=O)cc1Br.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Phenol, 4,4′-(3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide, monosodium salt
  • Phenol, 4,4′-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, monosodium salt
  • 3H-1,2-Benzoxathiole, phenol deriv.

Work with Phenol, 4,4′-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, sodium salt (1:1)

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere