Cas no 91577-92-3 (1-Butanol, 2-methyl-, 4-nitrobenzoate, (2S)-)

1-Butanol, 2-methyl-, 4-nitrobenzoate, (2S)- structure
91577-92-3 structure
Product Name:1-Butanol, 2-methyl-, 4-nitrobenzoate, (2S)-
CAS No:91577-92-3
MF:C12H15NO4
MW:237.251803636551
CID:786966
Update Time:2024-02-01

1-Butanol, 2-methyl-, 4-nitrobenzoate, (2S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Butanol, 2-methyl-, 4-nitrobenzoate, (2S)-
    • 1-Butanol, 2-methyl-, 1-(4-nitrobenzoate), (2S)-
    • Inchi： 1S/C12H15NO4/c1-3-9(2)8-17-12(14)10-4-6-11(7-5-10)13(15)16/h4-7,9H,3,8H2,1-2H3/t9-/m0/s1
    • InChI Key： OPTWCGBPFYHUBZ-VIFPVBQESA-N
    • SMILES： C(OC(=O)C1=CC=C([N+]([O-])=O)C=C1)[C@@H](C)CC

Experimental Properties

  • Density: 1.154±0.06 g/cm3(Predicted)
  • Melting Point: 51 °C
  • Boiling Point: 348.8±25.0 °C(Predicted)

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