Methyl (4S)-6-Chloro-4-(Cyclopropylethynyl)-2-Oxo-4-(Trifluoromethyl)-2H-3,1-Benzoxazine-1(4H)-Carboxylate
[CAS# 211563-40-5]

Identification

• Name: Methyl (4S)-6-Chloro-4-(Cyclopropylethynyl)-2-Oxo-4-(Trifluoromethyl)-2H-3,1-Benzoxazine-1(4H)-Carboxylate
• Synonyms: [4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl)phenyl]carbamic Acid Methyl Ester
• Molecular Formula: C₁₆H₁₁ClF₃NO₄
• Molecular Weight: 373.71
• CAS Registry Number: 211563-40-5
• SMILES: COC(=O)N1c2ccc(cc2[C@@](OC1=O)(C#CC3CC3)C(F)(F)F)Cl
• InChI: 1S/C16H11ClF3NO4/c1-24-13(22)21-12-5-4-10(17)8-11(12)15(16(18,19)20,25-14(21)23)7-6-9-2-3-9/h4-5,8-9H,2-3H2,1H3/t15-/m0/s1
• InChIKey: FUIGCZIMCGAKPZ-HNNXBMFYSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 427.446°C at 760 mmHg (Cal.)
• Flash point: 212.312°C (Cal.)
• Refractive index: 1.58 (Cal.)