(R)-(-)-2-Chloromandelic acid

• CAS: 52950-18-2
• Catalog Number: ACM52950182
• Category: Solvents
• Molecular Weight: 186.59
• Molecular Formula: C8H7ClO3
• Synonyms: (2R)-(2-Chlorophenyl)(hydroxy)acetic acid, chloromandelic acid, 2-chloromandelic acid
• IUPAC Name: 2-(2-chlorophenyl)-2-hydroxyacetic acid
• Canonical SMILES: OC(C(O)=O)C1=CC=CC=C1Cl
• InChI: 1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
• InChI Key: RWOLDZZTBNYTMS-UHFFFAOYNA-N
• Boiling Point: 350.3±27.0 °C at 760 mmHg
• Melting Point: 119-121 °C(lit.)
• Flash Point: 165.7±23.7 °C
• Density: 1.5±0.1 g/cm³
• Assay: ≥97.5% (HPLC); 98%
• Beilstein: 2693370
• Color: White
• Exact Mass: 186.008377
• Form: crystalline powder
• Hazard Codes: Xi,C
• Hazard Statements: H317-H318
• LogP: 1.52
• MDL Number: MFCD00798429
• NACRES: NA.22
• Optical Purity: enantiomeric excess: ≥98.5%
• PSA: 57.53
• PubChem ID: 329764291
• Refractive Index: 1.606
• Vapor Pressure: 0.0±0.8 mmHg at 25°C
• WGK Germany: 3