Cas no 1227210-31-2 (1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole)

1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole structure
1227210-31-2 structure
Product Name:1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole
CAS No:1227210-31-2
MF:C6H7Br2N3O2
MW:312.946679353714
CID:1215504
PubChem ID:57502083
Update Time:2025-04-20

1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole
    • DB-310853
    • SCHEMBL173569
    • A1-09036
    • 1H-Pyrazole, 1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-
    • KOEOHTKJNSKFKF-UHFFFAOYSA-N
    • 1227210-31-2
    • DTXSID001219896
    • 1-(2-bromoethyl)-5-(bromomethyl)-3-nitropyrazole
    • Inchi: 1S/C6H7Br2N3O2/c7-1-2-10-5(4-8)3-6(9-10)11(12)13/h3H,1-2,4H2
    • InChI Key: KOEOHTKJNSKFKF-UHFFFAOYSA-N
    • SMILES: BrCC1=CC([N+](=O)[O-])=NN1CCBr

Computed Properties

  • Exact Mass: 310.89051
  • Monoisotopic Mass: 310.89050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 2.1±0.1 g/cm3
  • Boiling Point: 409.1±40.0 °C at 760 mmHg
  • Flash Point: 201.2±27.3 °C
  • PSA: 60.96
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-(2-bromoethyl)-5-(bromomethyl)-3-nitro-1H-pyrazole Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AA24468-2.5g
1-(2-Bromoethyl)-5-(bromomethyl)-3-nitro-1h-pyrazole
1227210-31-2 95%
2.5g
$1361.00 2024-04-20
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