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Basic Information
CAS No.: 3678-71-5
Name: 3-benzhydrylpyridine
Article Data: 16
Molecular Structure:
Molecular Structure of 3678-71-5 (3-benzhydrylpyridine)
Formula: C18H15N
Molecular Weight: 245.324
Synonyms: 3-(Diphenylmethyl)pyridine;3-Pyridyl diphenylmethane;Diphenyl-3-pyridylmethane;NSC 60654;
EINECS: 222-954-9
Density: 1.085 g/cm3
Boiling Point: 378.1 °C at 760 mmHg
Flash Point: 163.7 °C
PSA: 12.89000
LogP: 4.26180
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Specification

The Pyridine, 3-(diphenylmethyl)-, with the CAS registry number 3678-71-5, is also known as 3-(Diphenylmethyl)pyridine. Its EINECS registry number is 222-954-9. This chemical's molecular formula is C18H15N and molecular weight is 245.327. What's more, its IUPAC name is 3-Benzhydrylpyridine.

Physical properties about Pyridine, 3-(diphenylmethyl)- are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 681.41; (6)ACD/BCF (pH 7.4): 907.08; (7)ACD/KOC (pH 5.5): 3419.17; (8)ACD/KOC (pH 7.4): 4551.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 78.05 cm3; (15)Molar Volume: 225.8 cm3; (16)Polarizability: 30.94×10-24 cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.085 g/cm3; (19)Flash Point: 163.7 °C; (20)Enthalpy of Vaporization: 60.14 kJ/mol; (21)Boiling Point: 378.1 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-05 mmHg at 25 °C.

Preparation of Pyridine, 3-(diphenylmethyl)-: this chemical is prepared by Diphenyl-pyridin-3-yl-methanol. This reaction needs reagents NaBH4 and Trifluoroacetic acid. Meanwhile, it needs solvent CH2Cl2. The reaction temperature is 20 °C. The yield is about 77 %.

The Pyridine, 3-(diphenylmethyl)- can be obtained by Diphenyl-pyridin-3-yl-methanol.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cccc(c1)C(c2ccccc2)c3ccccc3
(2) InChI: InChI=1/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
(3) InChIKey: HGVLJGHVYCBNBB-UHFFFAOYAR