Perfluidone
[CAS# 37924-13-3]

Identification

• Name: Perfluidone
• Synonyms: 1,1,1-Trifluoro-N-(2-Methyl-4-Phenylsulfonyl-Phenyl)Methanesulfonamide; (R)-Methyl-N-Benzoyl-N-(3-Chloro-4-Fluorophenyl)Alaninate; 1,1,1-Trifluoro-2'-Methyl-4'-(Phenylsulfonyl)Methanesulfonanilide
• Molecular Formula: C₁₄H₁₂F₃NO₄S₂
• Molecular Weight: 379.37
• CAS Registry Number: 37924-13-3
• EINECS: 253-718-3
• SMILES: C1=C(C=CC(=C1C)N[S](=O)(C(F)(F)F)=O)[S](=O)(C2=CC=CC=C2)=O
• InChI: 1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3
• InChIKey: WHTBVLXUSXVMEV-UHFFFAOYSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 471.876°C at 760 mmHg (Cal.)
• Flash point: 239.182°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