Cas no 139778-23-7 (Benzene, 1-[bis(pentyloxy)methyl]-2-nitro-)

Benzene, 1-[bis(pentyloxy)methyl]-2-nitro- structure
139778-23-7 structure
Product Name:Benzene, 1-[bis(pentyloxy)methyl]-2-nitro-
CAS No:139778-23-7
MF:C17H27NO4
MW:309.400585412979
CID:1281090
Update Time:2024-08-03

Benzene, 1-[bis(pentyloxy)methyl]-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-[bis(pentyloxy)methyl]-2-nitro-
    • Inchi: 1S/C17H27NO4/c1-3-5-9-13-21-17(22-14-10-6-4-2)15-11-7-8-12-16(15)18(19)20/h7-8,11-12,17H,3-6,9-10,13-14H2,1-2H3
    • InChI Key: XZCXLDCCXSGYIC-UHFFFAOYSA-N
    • SMILES: C1(C(OCCCCC)OCCCCC)=CC=CC=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 309.19411

Experimental Properties

  • Density: 1.044±0.06 g/cm3(Predicted)
  • Boiling Point: 397.9±27.0 °C(Predicted)
  • PSA: 61.6
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