Basic information
- CAS
30787-28-1- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1- InChIKey
UQLJEOCABMCPFW-UHFFFAOYSA-N- Molecular formula
- C18H13ClO2S
- Average molar mass
- 328.8 g/mol
- Monoisotopic mass
- 328.03247834
Overview
See also: 4-(4-Chloro-benzenesulfonyl)-biphenyl (annotation moved to).
Names & identifiers
- Preferred name
- 4-(4'-Chlorobenzenesulphonyl)biphenyl
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-4-phenylbenzene
- English name
- 4-(4-Chloro-benzenesulfonyl)-biphenyl
- Molecular formula
- C18H13ClO2S
- Molecular weight
- 328.81
Names & synonyms
30787-28-14-(4'-chlorobenzenesulphonyl)biphenyl1,1'-Biphenyl, 4-[(4-chlorophenyl)sulfonyl]-1-(4-chlorophenyl)sulfonyl-4-phenylbenzeneOprea1_011533SCHEMBL3296279DTXSID703480824-[(4-chlorophenyl)sulfonyl]biphenyl4-Chlorophenyl-4,4,'-diphenylsulfoneAKOS001043258[1,1'-Biphenyl]-4-yl 4-chlorophenyl sulfone4-(4-Chlorobenzene-1-sulfonyl)-1,1'-biphenyl
Show more names
4-(4-Chloro-benzenesulfonyl)-biphenyl
[1,1'-Biphenyl]-4-yl 4-chlorophenyl sulfone #Z56869016
Database identifiers
- CAS
30787-28-1- PubChem CID
- 630022
- DTXSID
DTXSID70348082
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 500.4 · 500.4±43.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- Hazard statements
- 413 · H413
Safety & regulation
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers1 total
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
Related reactions
1 records
Compound notes
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