Bis(phenylsulfonyl)methane - CAS 3406-02-8
Catalog: |
BB021951 |
Product Name: |
Bis(phenylsulfonyl)methane |
CAS: |
3406-02-8 |
Synonyms: |
Benzene, 1,1'-[methylenebis(sulfonyl)]bis-; 1,1'-[Methylenebis(sulfonyl)]bis[benzene]; Methane, bis(phenylsulfonyl)-; (Benzenesulfonyl)methanesulfonylbenzene; Bis(benzenesulfonyl)methane; NSC 47076 |
IUPAC Name: | benzenesulfonylmethylsulfonylbenzene |
Molecular Weight: | 296.36 |
Molecular Formula: | C13H12O4S2 |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2 |
InChI Key: | QCHNSJNRFSOCLJ-UHFFFAOYSA-N |
Boiling Point: | 552.8±46.0°C at 760 mmHg |
Melting Point: | 118-119°C |
Purity: | ≥95% |
Density: | 1.363±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White Powder |
Storage: | Store at RT |
MDL: | MFCD00007553 |
LogP: | 4.05330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22589955 | 20120401 | (2E,4E)-Ethyl 5-(phenyl-sulfon-yl)penta-2,4-dienoate | Acta crystallographica. Section E, Structure reports online |
22347078 | 20120201 | 1-[2,2-Bis(phenyl-sulfon-yl)ethen-yl]-4-meth-oxy-benzene | Acta crystallographica. Section E, Structure reports online |
21952909 | 20111207 | Enantioselective organocatalytic asymmetric allylic alkylation. Bis(phenylsulfonyl)methane addition to MBH carbonates | Organic & biomolecular chemistry |
21913734 | 20111007 | Desymmetrization of cyclohexadienones via asymmetric Michael reaction catalyzed by cinchonine-derived urea | Organic letters |
21882315 | 20111004 | Asymmetric allylic monofluoromethylation and methylation of Morita-Baylis-Hillman carbonates with FBSM and BSM by cooperative cinchona alkaloid/FeCl2 catalysis | Angewandte Chemie (International ed. in English) |
Complexity: | 424 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.01770121 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.01770121 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 85 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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