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CAS No.: | 427-36-1 |
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Name: | TRIPHENYLMETHYL FLUORIDE |
Article Data: | 46 |
Molecular Structure: | |
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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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