Name: 1-Benzhydryl-3-bromoazetidine
SKU: 36476-84-3

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Basic Information

Molecular Structure:
CAS No.:	36476-84-3
Name:	1-Benzhydryl-3-bromoazetidine
Article Data:	3

Formula:	C₁₆H₁₆BrN
Molecular Weight:	302.214
Synonyms:	1-Benzhydryl-3-bromo-azetidine;
Density:	1.383 g/cm³
Boiling Point:	356.897 °C at 760 mmHg
Flash Point:	169.646 °C
PSA:	3.24000
LogP:	3.79300

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Specification

The CAS registry number of Azetidine,3-bromo-1-(diphenylmethyl)- is 36476-84-3. This chemical's molecular formula is C₁₆H₁₆BrN and molecular weight is 302.2089. What's more, its systematic name is 1-Benzhydryl-3-bromo-azetidine.

Physical properties about the Azetidine,3-bromo-1-(diphenylmethyl)- are: (1) ACD/LogP: 3.78; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.21; (4) ACD/LogD (pH 7.4): 3.763; (5) ACD/BCF (pH 5.5): 118.471; (6) ACD/BCF (pH 7.4): 422.724; (7) ACD/KOC (pH 5.5): 732.442; (8) ACD/KOC (pH 7.4): 2613.47; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 3.24 Å²; (13) Index of Refraction: 1.64; (14) Molar Refractivity: 78.755 cm³; (15) Molar Volume: 218.542 cm³; (16) Polarizability: 31.221×10^-24 cm³; (17) Surface Tension: 50.762 dyne/cm; (18) Density: 1.383 g/cm³; (19) Flash Point: 169.646 °C; (20) Enthalpy of Vaporization: 60.221 kJ/mol; (21) Boiling Point: 356.897 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Azetidine,3-bromo-1-(diphenylmethyl)-: this chemical can be prepared by 1-Benzhydryl-3-methanesulfonyloxy-azetidine.This reaction needs reagents NaBr, LiBr, Li₂CO₃and solvent tetrahydrofuran. The yield is 81 %. And the reaction equation is as followed:

Azetidine,3-bromo-1-(diphenylmethyl)- can be prepared by 1-Benzhydryl-3-methanesulfonyloxy-azetidine

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(c2ccccc2)N3CC(C3)Br
(2) InChI: InChI=1/C16H16BrN/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
(3) InChIKey: PVINDRYACMYZAW-UHFFFAOYAR