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CAS No.: | 78597-54-3 |
---|---|
Name: | 5-AMINO-3-(4-METHYLPHENYL)PYRAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H11N3 |
Molecular Weight: | 173.217 |
Synonyms: | 5-(4-Methylphenyl)-1H-pyrazol-3-amine;3-(4-Methylphenyl)-1H-pyrazol-5-amine; |
Density: | 1.196 g/cm3 |
Melting Point: | 148-151 °C(lit.) |
Boiling Point: | 438 °C at 760 mmHg |
Flash Point: | 248.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 54.70000 |
LogP: | 2.54850 |
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The 1H-Pyrazol-5-amine, 3-(4-methylphenyl)-, with the CAS registry number 78597-54-3, is also known as 3-(4-Methylphenyl)-1H-pyrazol-5-amine. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C10H11N3 and molecular weight is 173.21. What's more, its systematic name is 5-(4-methylphenyl)-1H-pyrazol-3-amine.
Physical properties of 1H-Pyrazol-5-amine, 3-(4-methylphenyl)- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.09; (6)ACD/BCF (pH 7.4): 3.24; (7)ACD/KOC (pH 5.5): 77.09; (8)ACD/KOC (pH 7.4): 80.72; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 52.43 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 20.78×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 248.8 °C; (20)Enthalpy of Vaporization: 69.47 kJ/mol; (21)Boiling Point: 438 °C at 760 mmHg; (22)Vapour Pressure: 7.15E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c(cc(c1ccc(cc1)C)n2)N
(2)Std. InChI: InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
(3)Std. InChIKey: GVPFRVKDBZWRCZ-UHFFFAOYSA-N