Basic information
- CAS
23038-36-0- Standard SMILES
O=S(=O)(c1ccccc1)c1ccc(Br)cc1- InChIKey
WUQDRRXKNVIWIR-UHFFFAOYSA-N- Molecular formula
- C12H9BrO2S
- Average molar mass
- 297.17 g/mol
- Monoisotopic mass
- 295.95066
Names & identifiers
- Preferred name
- 1-Bromo-4-(phenylsulfonyl)benzene
- IUPAC
- 1-(benzenesulfonyl)-4-bromobenzene
- English name
- 1-Bromo-4-(phenylsulfonyl)benzene
- Molecular formula
- C12H9BrO2S
- Molecular weight
- 297.17
Names & synonyms
1-bromo-4-(phenylsulfonyl)benzene23038-36-0Benzene, 1-bromo-4-(phenylsulfonyl)-p-Bromophenyl phenyl sulfone4-Bromodiphenyl sulfone4-Bromophenyl phenyl sulfoneSulfone, p-bromophenyl phenyl4-(Phenylsulfonyl)bromobenzeneNSC-2201058M9G8R8RHYDTXSID10177590RefChem:1055058
Show more names
Brn 19614051-Bromo-4-(phenylsulfonyl)Phenyl 4-bromophenyl sulfonePhenyl(4-bromophenyl) sulfone
DTXCID70100081245-392-61-(benzenesulfonyl)-4-bromobenzene1-Bromo-4-(phenylsulphonyl)benzeneMFCD000340471-(benzenesulfonyl)-4-bromo-benzeneEINECS 245-392-6NSC 220105
Database identifiers
- CAS
23038-36-0- PubChem CID
- 89970
- DTXSID
DTXSID10177590- UNII
- 8M9G8R8RHY
- EC Number
- 245-392-6
- Nikkaji
- J48.751A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 108 · 108-108.5 °C
- Boiling point
- 418.5 · 418.5±28.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C12H9BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
- InChIKey
- WUQDRRXKNVIWIR-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(S(C2=CC=CC=C2)(=O)=O)C=C1
- FDA UNII
- 8 M9G8R8RHY · 8M9G8R8RHY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers57 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
8 records
Compound notes
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