Product Name

  • Name

    5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID

  • EINECS
  • CAS No. 83405-71-4
  • Density 1.199g/cm3
  • Solubility
  • Melting Point
  • Formula C8H12 N2 O2
  • Boiling Point 357.2oC at 760 mmHg
  • Molecular Weight 168.19300
  • Flash Point 169.8oC
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 83405-71-4 (5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID)
  • Hazard Symbols
  • Synonyms Pyrazole-3(or5)-carboxylic acid, 5(or 3)-tert-butyl- (6CI,7CI);3-tert-Butyl-5-pyrazolecarboxylic acid; 5-tert-Butyl-1H-pyrazole-3-carboxylicacid; 5-tert-Butylpyrazole-3-carboxylic acid
  • PSA 65.98000
  • LogP 1.40540

3-tert-Butyl-1H-pyrazole-5-carboxylic acid Chemical Properties

Molecular Structure of 3-tert-Butyl-1H-pyrazole-5-carboxylic acid (CAS NO.83405-71-4):

Systematic Name: 5-tert-Butyl-1H-pyrazole-3-carboxylic acid 
Molecular Formula: C8H12N2O2
Molecular Weight: 168.19 
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 2
Index of Refraction: 1.541
Molar Refractivity: 44.09 cm3
Molar Volume: 140.1 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.199 g/cm3
Flash Point: 169.8 °C
Enthalpy of Vaporization: 63.58 kJ/mol
Boiling Point: 357.2 °C at 760 mmHg
Vapour Pressure: 1.01E-05 mmHg at 25 °C
SMILES: O=C(O)c1nnc(c1)C(C)(C)C
InChI: InChI=1/C8H12N2O2/c1-8(2,3)6-4-5(7(11)12)9-10-6/h4H,1-3H3,(H,9,10)(H,11,12)
InChIKey: RQRWZFJMPKHYIC-UHFFFAOYAY

3-tert-Butyl-1H-pyrazole-5-carboxylic acid Safety Profile

Safety Information of 3-tert-Butyl-1H-pyrazole-5-carboxylic acid (CAS NO.83405-71-4):
Hazard Codes: IrritantXi
HazardClass: IRRITANT

3-tert-Butyl-1H-pyrazole-5-carboxylic acid Specification

 3-tert-Butyl-1H-pyrazole-5-carboxylic acid (CAS NO.83405-71-4), its Synonyms are Pyrazole-3(or5)-carboxylic acid, 5(or 3)-tert-butyl- (6CI,7CI) ; 3-tert-Butyl-5-pyrazolecarboxylic acid ; 5-tert-Butyl-1H-pyrazole-3-carboxylicacid ; 5-tert-Butylpyrazole-3-carboxylic acid ; 1H-Pyrazole-3-carboxylicacid, 5-(1,1-dimethylethyl)- .

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