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95163-43-2

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Basic Information
CAS No.: 95163-43-2
Name: 1-Tritylpyrazole
Molecular Structure:
Molecular Structure of 95163-43-2 (1-Tritylpyrazole)
Formula: C22H18N2
Molecular Weight: 310.39
Synonyms: Pyrazole,1-trityl- (7CI);CDD 3502;1-Tritylpyrazole;
Density: 1.058 g/cm3
Melting Point: 202-204 °C
Boiling Point: 479.294 °C at 760 mmHg
Flash Point: 243.668 °C
PSA: 17.82000
LogP: 4.72330
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Specification

The 1-Tritylpyrazole with the CAS number 95163-43-2 is also called 1H-Pyrazole,1-(triphenylmethyl)-. The systematic name is 1-trityl-1H-pyrazole. Its molecular formula is C22H18N2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4064; (6)ACD/BCF (pH 7.4): 4064; (7)ACD/KOC (pH 5.5): 13332; (8)ACD/KOC (pH 7.4): 13332; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.82Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 101.285 cm3; (15)Molar Volume: 293.502 cm3; (16)Polarizability: 40.152×10-24cm3; (17)Surface Tension: 43.405 dyne/cm; (18)Enthalpy of Vaporization: 71.522 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1C(c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C22H18N2/c1-4-11-19(12-5-1)22(24-18-10-17-23-24,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H
(3)InChIKey: DZMNGSPDNIVJMT-UHFFFAOYAO