2',4'-Difluoro-alpha-Methyl-gamma-Oxo-(1,1'-Biphenyl)-4-Butanoic Acid Calcium Salt (2:1)
[CAS# 161692-92-8]

Identification

• Name: 2',4'-Difluoro-alpha-Methyl-gamma-Oxo-(1,1'-Biphenyl)-4-Butanoic Acid Calcium Salt (2:1)
• Synonyms: Calcium 2',4'-Difluoro-Alpha-Methyl-Gamma-Oxo-(1,1'-Biphenyl)-4-Butanoate (2:1); Calcium 4-(2',4'-Difluorobiphenyl-4-Yl)-2-Methyl-4-Oxobutanoate
• Molecular Formula: C₃₄H₂₆CaF₄O₆
• Molecular Weight: 646.65
• CAS Registry Number: 161692-92-8
• SMILES: C2=C(C1=CC=C(F)C=C1F)C=CC(=C2)C(=O)CC(C([O-])=O)C.C(C(=O)C4=CC=C(C3=CC=C(F)C=C3F)C=C4)C(C([O-])=O)C.[Ca++]
• InChI: 1S/2C17H14F2O3.Ca/c2*1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;/h2*2-7,9-10H,8H2,1H3,(H,21,22);/q;;+2/p-2
• InChIKey: RGGUNEDYCJDNNU-UHFFFAOYSA-L

Properties

• Boiling point: 456.5°C at 760 mmHg (Cal.)
• Flash point: 229.9°C (Cal.)