1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-(phenylmethyl)- supplier

Name
1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
EINECS
CAS No. 2644-94-2
Article Data6
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄N₂O
Boiling Point 376.7 °C at 760 mmHg
Molecular Weight 214.267
Flash Point 181.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-4-carboxaldehyde,1-benzyl-3,5-dimethyl- (7CI);
PSA 34.89000
LogP 2.36070

1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-(phenylmethyl)- Specification

The CAS register number of 1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-(phenylmethyl)- is 2644-94-2. It also can be called as Pyrazole-4-carboxaldehyde,1-benzyl-3,5-dimethyl- (7CI) and the IUPAC name about this chemical is 1-benzyl-3,5-dimethylpyrazole-4-carbaldehyde. The molecular formula about this chemical is C₁₃H₁₄N₂O and the molecular weight is 214.26696.

Physical properties about 1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-(phenylmethyl)- are: (1)ACD/LogP: 2.12; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 34.89 Å²; (5)Index of Refraction: 1.576; (6)Molar Refractivity: 64.84 cm³; (7)Molar Volume: 195.9 cm³; (8)Polarizability: 25.7x10^-24cm³; (9)Surface Tension: 39.5 dyne/cm; (10)Density: 1.09 g/cm³; (11)Flash Point: 181.6 °C; (12)Enthalpy of Vaporization: 62.43 kJ/mol; (13)Boiling Point: 376.7 °C at 760 mmHg; (14)Vapour Pressure: 7.13E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(nn(c1C)Cc2ccccc2)C
(2)InChI: InChI=1/C13H14N2O/c1-10-13(9-16)11(2)15(14-10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
(3)InChIKey: KQZFABYWVRTOFK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C13H14N2O/c1-10-13(9-16)11(2)15(14-10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
(5)Std. InChIKey: KQZFABYWVRTOFK-UHFFFAOYSA-N

Product Name

1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE

1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-(phenylmethyl)- Specification

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