530182

2-Chloromandelic acid

98%

• Linear Formula: ClC₆H₄CH(OH)CO₂H
• CAS Number: 10421-85-9
• Molecular Weight: 186.59
• EC Number: 233-900-9
• MDL number: MFCD00084962
• UNSPSC Code: 12352100
• PubChem Substance ID: 24877735
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• mp: 90-93 °C (lit.)
• functional group: carboxylic acid; chloro; hydroxyl
• SMILES string: OC(C(O)=O)c1ccccc1Cl
• InChI: 1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
• InChI key: RWOLDZZTBNYTMS-UHFFFAOYSA-N

Description

General description

2-Chloromandelic acid (2-ClMA) is a mandelic acid derivative. A report based on its solid state-NMR, X-ray powder diffraction (XPRD) and Fourier transform infrared spectroscopy (FTIR) data reveals that in solid state 2-ClMA exists as a racemic compound. The study also suggests that the crystals of racemic 2-ClMA belongs the monoclinic space group P21/c. The efficiency of (R)-(+)-N-benzyl-1-phenylethylamine in resolving racemate 2-ClMA has been investigated.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves