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4428-13-1

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Basic Information
CAS No.: 4428-13-1
Name: 1,1,2-triphenylethanol
Article Data: 62
Molecular Structure:
Molecular Structure of 4428-13-1 (1,1,2-triphenylethanol)
Formula: C20H18O
Molecular Weight: 274.362
Synonyms: Ethanol, 1,1,2-triphenyl-;
EINECS: 224-614-5
Density: 1.122 g/cm3
Melting Point: 89.5°C
Boiling Point: 397.9 °C at 760 mmHg
Flash Point: 153.1 °C
PSA: 20.23000
LogP: 4.16520
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Specification

The Benzeneethanol, α,α-diphenyl-, with the CAS registry number of 4428-13-1, is also known as Ethanol, 1,1,2-triphenyl-.  Its EINECS registry number is 224-614-5. This chemical's molecular formula is C20H18O and molecular weight is 274.35632. What's more, its IUPAC name is 1,2,2-Triphenylethanol. This chemical's classification code is Mutation data.

Physical properties about the Benzeneethanol, α,α-diphenyl- are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 85.79 cm3; (9)Molar Volume: 244.4 cm3; (10)Surface Tension: 46.6 dyne/cm; (11)Density: 1.122 g/cm3; (12)Flash Point: 153.1 °C; (13)Enthalpy of Vaporization: 68.37 kJ/mol; (14)Boiling Point: 397.9 °C at 760 mmHg; (15)Vapour Pressure: 4.81E-07 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Benzophenone with Benzyl-trimethyl-silane. The reaction needs solvent Tetrahydrofuran. The reaction time is 4 h. The yield is about 85 %.

The Benzeneethanol, α,α-diphenyl- can be obtained by Benzophenone and Benzyl-trimethyl-silane

Uses: it is used to produce other chemicals. For example, it is used to produce 1,1,2-Triphenyl-ethane. This reaction needs reagent Trifluoroacetic acid. Meanwhile, it needs solvent CH2Cl2. The yield is about 84 %.

The Benzeneethanol, α,α-diphenyl- can react to get 1,1,2-Triphenyl-ethane

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)(c2ccccc2)Cc3ccccc3
(2) InChI: InChI=1/C20H18O/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15,21H,16H2
(3) InChIKey: QMPKJVBRCQVFLL-UHFFFAOYAI