N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-Valine
[CAS# 76769-07-8]

Identification

• Name: N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-Valine
• Synonyms: (2S)-2-[[2-Chloro-4-(Trifluoromethyl)Phenyl]Amino]-3-Methyl-Butanoate; (2S)-2-[[2-Chloro-4-(Trifluoromethyl)Phenyl]Amino]-3-Methyl-Butyrate; Zinc03182482
• Molecular Formula: C₁₂H₁₂ClF₃NO₂
• Molecular Weight: 294.68
• CAS Registry Number: 76769-07-8
• SMILES: [C@@H](NC1=C(Cl)C=C(C(F)(F)F)C=C1)(C([O-])=O)C(C)C
• InChI: 1S/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/p-1/t10-/m0/s1
• InChIKey: YKSHSSFDOHACTC-JTQLQIEISA-M

Properties

• Boiling point: 381.545°C at 760 mmHg (Cal.)
• Flash point: 184.552°C (Cal.)