Basic information
- CAS
4232-99-9- Standard SMILES
O=S(=O)(O)c1cc(Br)c(O)c(Br)c1- InChIKey
DMIMZHGXWWCGBD-UHFFFAOYSA-N- Molecular formula
- C6H4Br2O4S
- Average molar mass
- 331.97 g/mol
- Monoisotopic mass
- 329.8197
Overview
Dibromol is an organosulfur compound and a sulfonic acid derivative.
Names & identifiers
- Preferred name
- 3,5-Dibromo-4-hydroxybenzenesulfonic acid
- IUPAC
- 3,5-dibromo-4-hydroxybenzenesulfonic acid
- English name
- 3,5-dibromo-4-hydroxybenzenesulphonic acid
- Molecular formula
- C6H4Br2O4S
- Molecular weight
- 331.97
Names & synonyms
3,5-Dibromo-4-hydroxybenzenesulfonic acid4232-99-92,6-dibromophenol-4-sulfonic acidUNII-Y15I5260EDY15I5260EDEINECS 224-190-1DTXSID50195137NSC-243174P-HYDROXY-3,5-DIBROMOBENZENESULFONIC ACID2,6-DIBROMOPHENOL-4-SULFONIC ACID [WHO-DD]3,5-DIBROMO-4-HYDROXYBENZENESULFONIC ACID [MI]RefChem:91429
Show more names
Benzenesulfonic acid, 3,5-dibromo-4-hydroxy-
DTXCID60117628224-190-13,5-Dibromo-4-hydroxybenzenesulphonic acid3,5-dibromo-4-hydroxybenzene-1-sulfonic acidSCHEMBL1041550CHEBI:135416DMIMZHGXWWCGBD-UHFFFAOYSA-NNS00014309
Database identifiers
- CAS
4232-99-9- PubChem CID
- 77912
- DTXSID
DTXSID50195137- ChEBI
CHEBI:135416- UNII
- Y15I5260ED
- EC Number
- 224-190-1
- Nikkaji
- J205.658E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 271.5 · 271.5-272.5 °C(Solv: chloroform (67-66-3))
- Density
- 2.321 · 2.321±0.06 g/cm3(Predicted)
- pka
- -0.92 · -0.92±0.50(Predicted)
- FDA UNII
- 15 I5260ED · Y15I5260ED
Chemistry & industry
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >100
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Dibromol is an organosulfur compound and a sulfonic acid derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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