(4S)-6-Chloro-4-(Cyclopropylethynyl)-8-Hydroxy-4-(Trifluoromethyl)-1,4-Dihydro-2H-3,1-Benzoxazin-2-One
[CAS# 205754-32-1]

Identification

• Name: (4S)-6-Chloro-4-(Cyclopropylethynyl)-8-Hydroxy-4-(Trifluoromethyl)-1,4-Dihydro-2H-3,1-Benzoxazin-2-One
• Synonyms: (4S)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-cyclopropylethynyl-8-hydroxy-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
• Molecular Formula: C₁₄H₉ClF₃NO₃
• Molecular Weight: 331.67
• CAS Registry Number: 205754-32-1
• SMILES: C1CC1C#C[C@]2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F
• InChI: 1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1
• InChIKey: OOVOMPCQLMFEDT-ZDUSSCGKSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 373.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 179.7±27.9°C (Cal.)
• Refractive index: 1.608 (Cal.)