Cas no 139768-66-4 (1,1'-Biphenyl, 4'-(methylsulfonyl)-2-nitro-)

1,1'-Biphenyl, 4'-(methylsulfonyl)-2-nitro- structure
139768-66-4 structure
Product Name:1,1'-Biphenyl, 4'-(methylsulfonyl)-2-nitro-
CAS No:139768-66-4
MF:C13H11NO4S
MW:277.295742273331
CID:1283495
Update Time:2024-08-03

1,1'-Biphenyl, 4'-(methylsulfonyl)-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 4'-(methylsulfonyl)-2-nitro-
    • Inchi: 1S/C13H11NO4S/c1-19(17,18)11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3
    • InChI Key: CMSBOMZWWKTEMM-UHFFFAOYSA-N
    • SMILES: C1(C2=CC=C(S(C)(=O)=O)C=C2)=CC=CC=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 277.04093

Experimental Properties

  • Density: 1.331±0.06 g/cm3(Predicted)
  • Boiling Point: 473.7±37.0 °C(Predicted)
  • PSA: 77.28
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