Cas no 66768-18-1 (1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2S)-rel-)

1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2S)-rel- structure
66768-18-1 structure
Product Name:1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2S)-rel-
CAS No:66768-18-1
MF:C14H13ClO2
MW:248.704823255539
CID:395830
Update Time:2024-01-29

1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2S)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2S)-rel-
    • Inchi: 1S/C14H13ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,13-14,16-17H/t13-,14+/m0/s1
    • InChI Key: JKHLGCIYBRKEGD-UONOGXRCSA-N
    • SMILES: [C@H](C1=CC=C(Cl)C=C1)(O)[C@H](C1=CC=CC=C1)O

Computed Properties

  • Exact Mass: 248.06049

Experimental Properties

  • Density: 1.299±0.06 g/cm3(Predicted)
  • Boiling Point: 406.6±40.0 °C(Predicted)
  • PSA: 40.46
  • pka: 13.43±0.20(Predicted)
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