1H-Pyrazole-5-carboxaldehyde,1-methyl-3-phenyl- supplier

Name
1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBALDEHYDE
EINECS
CAS No. 864068-96-2
Density 1.13g/cm³
Solubility
Melting Point 95 °C
Formula C₁₁H₁₀N₂O
Boiling Point 355.4 °C at 760 mmHg
Molecular Weight 186.21
Flash Point 168.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBALDEHYDE;1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBOXALDEHYDE;1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde 97%;2-METHYL-5-PHENYL-2H-PYRAZOLE-3-CARBALDEHYDE;5-Formyl-1-methyl-3-phenyl-1H-pyrazole
PSA 34.89000
LogP 1.89960

1H-Pyrazole-5-carboxaldehyde,1-methyl-3-phenyl- Specification

The 1H-Pyrazole-5-carboxaldehyde,1-methyl-3-phenyl-, with CAS registry number 864068-96-2, has the systematic name of 1-methyl-3-phenyl-1H-pyrazole-5-carbaldehyde. Besides this, it is also called 2-Methyl-5-phenyl-2h-pyrazole-3-carbaldehyde. And the chemical formula of this chemical is C₁₁H₁₀N₂O.

Physical properties of 1H-Pyrazole-5-carboxaldehyde,1-methyl-3-phenyl-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.14; (6)ACD/BCF (pH 7.4): 10.14; (7)ACD/KOC (pH 5.5): 182.67; (8)ACD/KOC (pH 7.4): 182.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 55.81 cm³; (15)Molar Volume: 164.5 cm³; (16)Polarizability: 22.12×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 168.7 °C; (20)Enthalpy of Vaporization: 60.06 kJ/mol; (21)Boiling Point: 355.4 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(nn1C)c2ccccc2
(2)InChI: InChI=1/C11H10N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-8H,1H3
(3)InChIKey: XFGHBJQGDDYIKS-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H10N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-8H,1H3
(5)Std. InChIKey: XFGHBJQGDDYIKS-UHFFFAOYSA-N

Product Name

1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBALDEHYDE

1H-Pyrazole-5-carboxaldehyde,1-methyl-3-phenyl- Specification

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