Product Name

  • Name

    4-ethenyl-3-nitro-1H-pyrazole-1-carboxylic acid

  • EINECS
  • CAS No. 77492-93-4
  • Density 1.58g/cm3
  • Solubility
  • Melting Point
  • Formula C6H5N3O4
  • Boiling Point 445.6°Cat760mmHg
  • Molecular Weight 183.14
  • Flash Point 223.3°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 77492-93-4 (4-ethenyl-3-nitro-1H-pyrazole-1-carboxylic acid)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

3-Nitro-1-vinylpyrazolecarboxylic acid Chemical Properties

Molecule structure of 3-Nitro-1-vinylpyrazolecarboxylic acid (CAS NO.77492-93-4) :

IUPAC Name: 4-ethenyl-3-nitropyrazole-1-carboxylic acid 
Molecular Weight: 183.1216 g/mol
Molecular Formula: C6H5N3O4 
Density: 1.58 g/cm
Boiling Point: 445.6 °C at 760 mmHg 
Flash Point: 223.3 °C
Index of Refraction: 1.646
Molar Refractivity: 41.83 cm3
Molar Volume: 115.2 cm3
Polarizability: 16.58*10-24 cm3
Surface Tension: 70.9 dyne/cm 
Enthalpy of Vaporization: 74.15 kJ/mol
Vapour Pressure: 1.01E-08 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 183.028006
MonoIsotopic Mass: 183.028006
Topological Polar Surface Area: 98.3
Heavy Atom Count: 13 
Complexity: 249
Canonical SMILES: C=CC1=CN(N=C1[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C6H5N3O4/c1-2-4-3-8(6(10)11)7-5(4)9(12)13/h2-3H,1H2,(H,10,11)
InChIKey of 3-Nitro-1-vinylpyrazolecarboxylic acid (CAS NO.77492-93-4) : ODEIDDPIGPMSJU-UHFFFAOYSA-N

3-Nitro-1-vinylpyrazolecarboxylic acid Toxicity Data With Reference

1.    

mic-sat 100 nmol/L

    ENMUDM    Environmental Mutagenesis. 3 (1981),11.
2.    

mic-esc 100 µmol/L

    ENMUDM    Environmental Mutagenesis. 3 (1981),11.

3-Nitro-1-vinylpyrazolecarboxylic acid Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

3-Nitro-1-vinylpyrazolecarboxylic acid Specification

 3-Nitro-1-vinylpyrazolecarboxylic acid (CAS NO.77492-93-4) is also called Pyrazolecarboxylic acid, 3-nitro-1-vinyl- .

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