Product Name

  • Name

    1,5-DIMETHYL-1H-PYRAZOLE-3-CARBALDEHYDE

  • EINECS
  • CAS No. 25016-10-8
  • Article Data4
  • CAS DataBase
  • Density 1.11 g/cm3
  • Solubility
  • Melting Point 56 °C
  • Formula C6H8N2O
  • Boiling Point 227.7 °C at 760 mmHg
  • Molecular Weight 124.14
  • Flash Point 91.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 25016-10-8 (1,5-DIMETHYL-1H-PYRAZOLE-3-CARBALDEHYDE)
  • Hazard Symbols IrritantXi
  • Synonyms AKOS B015981;1,5-DIMETHYL-1H-PYRAZOLE-3-CARBALDEHYDE;ART-CHEM-BB B015981;1,5-Dimethyl-1H-pyrazole-3-carboxaldehyde;1,5-Dimethylpyrazole-3-carbaldehyde
  • PSA 34.89000
  • LogP 0.54100

1H-Pyrazole-3-carboxaldehyde,1,5-dimethyl- Specification

The 1H-Pyrazole-3-carboxaldehyde,1,5-dimethyl- has CAS registry number 25016-10-8. It belongs to the product categories of Aldehydes; Pyrazoles & Triazoles; Pyrazoles & Triazoles. This chemical's molecular formula is C6H8N2O and molecular weight is 124.14. What's more, its systematic name is 1,5-dimethyl-1H-pyrazole-3-carbaldehyde. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Pyrazole-3-carboxaldehyde,1,5-dimethyl- are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.33; (8)ACD/KOC (pH 7.4): 25.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 35.13 cm3; (15)Molar Volume: 111.3 cm3; (16)Polarizability: 13.92×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 91.5 °C; (20)Enthalpy of Vaporization: 46.43 kJ/mol; (21)Boiling Point: 227.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0763 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nn(c(c1)C)C
(2)Std. InChI: InChI=1S/C6H8N2O/c1-5-3-6(4-9)7-8(5)2/h3-4H,1-2H3
(3)Std. InChIKey: XSGNECLIVOTMQJ-UHFFFAOYSA-N

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