CAS No.57514-09-7,(2,2-Difluoro-1-methylethyl)benzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57514-09-7
Name:	(2,2-Difluoro-1-methylethyl)benzene
Article Data:	7

Formula:	C₉H₁₀F₂
Molecular Weight:	156.175
Synonyms:	1,1-Difluor-2-phenylpropan;(2,2-Difluoro-1-methylethyl)benzene;(1,1-difluoropropan-2-yl)benzene;1,1-difluoro-2-phenylpropane;
Density:	1.036g/cm³
Boiling Point:	159.438 °C at 760 mmHg
Flash Point:	38.508 °C
PSA:	0.00000
LogP:	3.05520

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Specification

The (2,2-Difluoro-1-methyl-ethyl)-benzene, with CAS registry number 57514-09-7, has the systematic name of (2,2-difluoro-1-methyl-ethyl)benzene. Besides this, it is also called 1-(1,1-difluoropropan-2-yl)benzene. Its molecular weight is 156.17. And the chemical formula of this chemical is C₉H₁₀F₂.

Physical properties of (2,2-Difluoro-1-methyl-ethyl)-benzene: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.945; (4)ACD/LogD (pH 7.4): 2.945; (5)ACD/BCF (pH 5.5): 101.889; (6)ACD/BCF (pH 7.4): 101.889; (7)ACD/KOC (pH 5.5): 952.861; (8)ACD/KOC (pH 7.4): 952.861; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 40.724 cm³; (15)Molar Volume: 150.778 cm³; (16)Polarizability: 16.144×10^-24cm³; (17)Surface Tension: 25.468 dyne/cm; (18)Density: 1.036 g/cm³; (19)Flash Point: 38.508 °C; (20)Enthalpy of Vaporization: 37.977 kJ/mol; (21)Boiling Point: 159.438 °C at 760 mmHg; (22)Vapour Pressure: 3.249 mmHg at 25°C.

Preparation: this chemical can be prepared by trifluoro-methanesulfonic acid 2-phenyl-1-trifluoromethanesulfonyloxy-propyl ester. This reaction will need reagent tetrabutylammonium difluorotriphenylstannate and solvent CH₂Cl₂. The reaction time is 8 hour(s). The yield is about 59%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1ccccc1)C(F)F
(2)InChI: InChI=1/C9H10F2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7,9H,1H3
(3)InChIKey: UEXINFYSJKARLO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H10F2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7,9H,1H3
(5)Std. InChIKey: UEXINFYSJKARLO-UHFFFAOYSA-N