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1H-Pyrazol-5-amine,1,3-diphenyl-

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Name

1H-Pyrazol-5-amine,1,3-diphenyl-

EINECS N/A
CAS No. 5356-71-8 Density 1.17g/cm3
PSA 43.84000 LogP 3.70270
Solubility N/A Melting Point 129-132 °C
Formula C15H13N3 Boiling Point 454 °C at 760 mmHg
Molecular Weight 235.288 Flash Point 228.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5356-71-8 (5-AMINO-1,3-DIPHENYLPYRAZOLE) Hazard Symbols IrritantXi
Synonyms

2,5-Diphenyl-2H-pyrazol-3-ylamine;

Article Data 32

1H-Pyrazol-5-amine,1,3-diphenyl- Specification

The 1H-Pyrazol-5-amine,1,3-diphenyl-, with the CAS registry number 5356-71-8, is also known as 2,5-Diphenyl-2H-pyrazol-3-ylamine. This chemical's molecular formula is C15H13N3 and molecular weight is 235.2838. What's more, its systematic name is called 1,3-Diphenyl-1H-pyrazol-5-amine. Its classification code is Drug / Therapeutic Agent.

Physical properties about this chemical are: (1)ACD/LogP: 2.71; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 21.06Å2; (7)Index of Refraction: 1.646; (8)Molar Refractivity: 72.95 cm3; (9)Molar Volume: 200.8 cm3; (10)Surface Tension: 48.5 dyne/cm; (11)Density: 1.17 g/cm3; (12)Flash Point: 228.4 °C; (13)Enthalpy of Vaporization: 71.35 kJ/mol; (14)Boiling Point: 454 °C at 760 mmHg; (15)Vapour Pressure: 1.98E-08 mmHg at 25 °C; (16)Melting Point: 129-132 °C.

Preparation of 1H-Pyrazol-5-amine,1,3-diphenyl-: this chemical can be prepared by Phenylpropynenitrile and Phenylhydrazine.

This reaction will occur at temperature of 80 °C for 5 min. The yield is 88%.

Uses of 1H-Pyrazol-5-amine,1,3-diphenyl-: it is used to produce other chemicals. For example, it is used to produce N-(2,5-Diphenyl-2H-pyrazol-3-yl)-acetamide. The yield is 81%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(cc(n1c2ccccc2)N)c3ccccc3
(2) InChI: InChI=1/C15H13N3/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-11H,16H2
(3) InChIKey: SXOFMEWDEKEVJU-UHFFFAOYAW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 315mg/kg (315mg/kg)   Farmakologiya i Toksikologiya Vol. 27, Pg. 295, 1964.
Link to PubMed

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