(2R)-2-(4-Chloro-2-Methylphenoxy)-Propanoic Acid
[CAS 16484-77-8]

Identification

• Classification: Analytical chemistry >> Standard >> Pesticides, veterinary drugs and fertilizers
• Name: (2R)-2-(4-Chloro-2-Methylphenoxy)-Propanoic Acid
• Synonyms: (2R)-2-(4-Chloro-2-Methyl-Phenoxy)Propanoic Acid; (2R)-2-(4-Chloro-2-Methyl-Phenoxy)Propionic Acid; 36773_Riedel
• Molecular Formula: C₁₀H₁₁ClO₃
• Molecular Weight: 214.65
• CAS Registry Number: 16484-77-8
• EINECS: 240-539-0
• SMILES: [C@H](OC1=CC=C(Cl)C=C1C)(C(=O)O)C
• InChI: 1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1
• InChIKey: WNTGYJSOUMFZEP-SSDOTTSWSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 331.859°C at 760 mmHg (Cal.)
• Flash point: 154.503°C (Cal.)

References

• (1): E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens. On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006