CAS No.126417-81-0,3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	126417-81-0
Name:	3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
Article Data:	2

Formula:	C₁₀H₁₀FN₃
Molecular Weight:	191.208
Synonyms:	5-Amino-3-(4-fluorophenyl)-1-methylpyrazole;
Density:	1.26 g/cm³
Boiling Point:	364.2 °C at 760 mmHg
Flash Point:	174.1 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
Safety:	45
PSA:	43.84000
LogP:	2.38960

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- China (Mainland)(16)
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Specification

The cas register number of 3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine is 126417-81-0. It also can be called as 5-(4-Fluoro-phenyl)-2-methyl-2H-pyrazol-3-ylamine and the Systematic name about this chemical is 1H-pyrazol-5-amine, 3-(4-fluorophenyl)-1-methyl-.

Physical properties about 3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine are: (1)ACD/LogP: 0.30 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.3 ; (4)ACD/LogD (pH 7.4): 0.3 ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.45; (8)ACD/KOC (pH 7.4): 34.61; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 52.14 cm³; (15)Molar Volume: 150.8 cm³; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 174.1 °C; (19)Enthalpy of Vaporization: 61.04 kJ/mol; (20)Boiling Point: 364.2 °C at 760 mmHg; (21)Vapour Pressure: 1.71E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: Fc1ccc(cc1)c2nn(c(N)c2)C
2.InChI: InChI=1/C10H10FN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
3.InChIKey: GHWUZPAXOSXMQB-UHFFFAOYAR
4.Std. InChI: InChI=1S/C10H10FN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3.