Methyl (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
[CAS# 876156-58-0]

Identification

• Name: Methyl (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
• Molecular Formula: C₁₃H₁₂F₃NO₅S
• Molecular Weight: 351.30
• CAS Registry Number: 876156-58-0
• SMILES: [O-][N+](=O)c1ccc(cc1)[C@H]2OCCS[C@@]2(C(=O)OC)C(F)(F)F
• InChI: 1S/C13H12F3NO5S/c1-21-11(18)12(13(14,15)16)10(22-6-7-23-12)8-2-4-9(5-3-8)17(19)20/h2-5,10H,6-7H2,1H3/t10-,12+/m1/s1
• InChIKey: JFVLEAVWTZLFPJ-PWSUYJOCSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 439.398°C at 760 mmHg (Cal.)
• Flash point: 219.54°C (Cal.)
• Refractive index: 1.531 (Cal.)