Mustardsulphone
[CAS# 471-03-4]

Identification

• Name: Mustardsulphone
• Synonyms: Ethane, 1,1'-Sulfonylbis(2-Chloro-; 1,1'-Sulfonylbis(2-Chloroethane); Bis(2-Chloroethyl)Sulfone
• Molecular Formula: C₄H₈Cl₂O₂S
• Molecular Weight: 191.07
• CAS Registry Number: 471-03-4
• SMILES: C(Cl)C[S](CCCl)(=O)=O
• InChI: 1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2
• InChIKey: LUYAMNYBNTVQJG-UHFFFAOYSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 340.788°C at 760 mmHg (Cal.)
• Flash point: 159.903°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493