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Cas Database

Name	1-Phenyl-4-methylpyrazole	EINECS	N/A
CAS No.	14766-43-9	Density	1.04g/cm³
PSA	17.82000	LogP	2.18070
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₀N₂	Boiling Point	262.9 °C at 760 mmHg
Molecular Weight	158.203	Flash Point	112.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Pyrazole,4-methyl-1-phenyl- (6CI,7CI,8CI);4-Methyl-1-phenylpyrazole;	Article Data	6

1-Phenyl-4-methylpyrazole Specification

The 1-Phenyl-4-methylpyrazole with cas registry number of 14766-43-9, its systematic name is 4-methyl-1-phenyl-1H-pyrazole.

Physical properties about this chemical are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.39; (6)ACD/BCF (pH 7.4): 53.39; (7)ACD/KOC (pH 5.5): 599.91; (8)ACD/KOC (pH 7.4): 599.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 50.35 cm³; (15)Molar Volume: 151 cm³; (16)Polarizability: 19.96×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Enthalpy of Vaporization: 48.05 kJ/mol; (19)Vapour Pressure: 0.0173 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Cc1cn(nc1)c2ccccc2;
(2)InChI:InChI=1/C10H10N2/c1-9-7-11-12(8-9)10-5-3-2-4-6-10/h2-8H,1H3;
(3)InChIKey:ADHPAHRITFHGGD-UHFFFAOYAU;
(4)Std. InChI:InChI=1S/C10H10N2/c1-9-7-11-12(8-9)10-5-3-2-4-6-10/h2-8H,1H3;
(5)Std. InChIKey:ADHPAHRITFHGGD-UHFFFAOYSA-N.

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