Cas no 52076-91-2 (Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-ethyl-3-nitro-)

Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-ethyl-3-nitro- structure
52076-91-2 structure
Product Name:Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-ethyl-3-nitro-
CAS No:52076-91-2
MF:C12H16ClNO4S
MW:305.77774143219
CID:1575515
Update Time:2024-08-24

Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-ethyl-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-ethyl-3-nitro-
    • Inchi: 1S/C12H16ClNO4S/c1-5-9-10(14(15)16)6-8(12(2,3)4)7-11(9)19(13,17)18/h6-7H,5H2,1-4H3
    • InChI Key: SBFKWGYBPJOEKU-UHFFFAOYSA-N
    • SMILES: C1(S(Cl)(=O)=O)=CC(C(C)(C)C)=CC([N+]([O-])=O)=C1CC

Computed Properties

  • Exact Mass: 305.04898

Experimental Properties

  • Density: 1.287±0.06 g/cm3(Predicted)
  • Boiling Point: 380.7±42.0 °C(Predicted)
  • PSA: 77.28
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