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427-36-1

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Basic Information
CAS No.: 427-36-1
Name: TRIPHENYLMETHYL FLUORIDE
Article Data: 46
Molecular Structure:
Molecular Structure of 427-36-1 (TRIPHENYLMETHYL FLUORIDE)
Formula: C19H15F
Molecular Weight: 262.327
Synonyms: Methane,fluorotriphenyl- (6CI,7CI,8CI);Fluorotriphenylmethane;NSC 243656;Triphenylfluoromethane;Triphenylmethyl fluoride;Trityl fluoride;
EINECS: 207-046-2
Density: 1.101 g/cm3
Melting Point: 102-104 °C
Boiling Point: 368.7 °C at 760 mmHg
Flash Point: 203 °C
PSA: 0.00000
LogP: 4.94800
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Specification

The Benzene,1,1',1''-(fluoromethylidyne)tris-, with the CAS registry number 427-36-1, is also known as 1,1',1''-(Fluoromethanetriyl)tribenzene. It belongs to the product category of Pharmacetical. Its EINECS registry number is 207-046-2. This chemical's molecular formula is C19H15F and molecular weight is 262.32. What's more, its IUPAC name is called [Fluoro(diphenyl)methyl]benzene.

Physical properties about Benzene,1,1',1''-(fluoromethylidyne)tris- are: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.35; (4)ACD/LogD (pH 7.4): 6.35; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 79.7 cm3; (11)Molar Volume: 238.2 cm3; (12)Surface Tension: 38.6 dyne/cm; (13)Density: 1.101 g/cm3; (14)Flash Point: 203 °C; (15)Enthalpy of Vaporization: 59.12 kJ/mol; (16)Boiling Point: 368.7 °C at 760 mmHg; (17)Vapour Pressure: 2.65E-05 mmHg at 25 °C.

Preparation of Benzene,1,1',1''-(fluoromethylidyne)tris-: this chemical can be prepared by Triphenylmethanol. This reaction needs reagent Dimethylaminosulfer trifluoride and solvent CH2Cl2 at temperature of -78 – 20 °C. The yield is 90 %.

Uses of Benzene,1,1',1''-(fluoromethylidyne)tris-: it is used to produce other chemicals. For example, it is used to produce Benzoic acid trityl ester. The reaction occurs with reagent SiF4 and solvent Acetonitrile at temperature of 16 °C for 4 hours. The yield is 96 %.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(c2ccccc2)(c3ccccc3)F
(2) InChI: InChI=1/C19H15F/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
(3) InChIKey: SOOHMJJPRAGGSQ-UHFFFAOYAM