Benzenesulfonic acid,3-(phenylsulfonyl)- supplier

Name
3-phenylsulphonylbenzenesulphonic acid
EINECS 263-863-4
CAS No. 63113-57-5
Article Data6
CAS DataBase
Density 1.487 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀O₅S₂
Boiling Point
Molecular Weight 298.34
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonicacid, m-(phenylsulfonyl)- (6CI,7CI);m-Phenylsulfonylbenzenesulfonic acid;
PSA 105.27000
LogP 3.92770

Benzenesulfonic acid,3-(phenylsulfonyl)- Specification

The CAS registry number of Benzenesulfonic acid,3-(phenylsulfonyl)- is 63113-57-5. This chemical is also named as m-Phenylsulfonylbenzenesulfonic acid. Its EINECS registry number is 263-863-4. In addition, its molecular formula is C₁₂H₁₀O₅S₂ and molecular weight is 298.3348. Its systematic name is called 3-(phenylsulfonyl)benzenesulfonic acid.

Physical properties about Benzenesulfonic acid,3-(phenylsulfonyl)- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 70.62 cm³; (14)Molar Volume: 200.5 cm³; (15)Surface Tension: 57.3 dyne/cm; (16)Density: 1.487 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc(c1)S(=O)(=O)c2ccccc2
(2)InChI: InChI=1/C12H10O5S2/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17/h1-9H,(H,15,16,17)
(3)InChIKey: GHLWVGNAUAHTLR-UHFFFAOYAL

Product Name

3-phenylsulphonylbenzenesulphonic acid

Benzenesulfonic acid,3-(phenylsulfonyl)- Specification

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