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23245-25-2

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Basic Information
CAS No.: 23245-25-2
Name: 1-phenylpiperazine benzoate (1:1)
Molecular Structure:
Molecular Structure of 23245-25-2 (1-phenylpiperazine benzoate (1:1))
Formula: C20H17Cl
Molecular Weight: 292.8
Synonyms: 4-Methyltrityl chlorid, 4-Methyltriphenylmethyl chloride;
Density: 1.124 g/cm3
Melting Point: 98-99 °C
Boiling Point: 405 °C at 760 mmHg
Flash Point: 186.5 °C
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Specification

The 4-Methyltrityl chloride, with the CAS registry number of 23429-44-9, is also known as 4-Methyltrityl chlorid, 4-Methyltriphenylmethyl chloride. This chemical's molecular formula is C20H17Cl and molecular weight is 292.8. What's more, its systematic name is 1-[Chloro(diphenyl)methyl]-4-methylbenzene.

Physical properties about the 4-Methyltrityl chloride are: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 89.21 cm3; (9)Molar Volume: 260.4 cm3; (10)Surface Tension: 41.3 dyne/cm; (11)Density: 1.124 g/cm3; (12)Flash Point: 186.5 °C; (13)Enthalpy of Vaporization: 63.09 kJ/mol; (14)Boiling Point: 405 °C at 760 mmHg; (15)Vapour Pressure: 2.12E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(c1ccccc1)(c2ccccc2)c3ccc(cc3)C
(2)InChI: InChI=1/C20H17Cl/c1-16-12-14-19(15-13-16)20(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
(3) InChIKey: VUTZFAOGDXUYEJ-UHFFFAOYAO