CAS No.350-92-5,3-PHENYL-1,1,1-TRIFLUOROPROPAN-2-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	350-92-5
Name:	3-PHENYL-1,1,1-TRIFLUOROPROPAN-2-ONE
Article Data:	25

Formula:	C₉H₇F₃O
Molecular Weight:	188.149
Synonyms:	1,1,1-Trifluoro-3-phenylpropan-1-one;1,1,1-Trifluoro-3-phenylpropan-2-one;1-Phenyl-3,3,3-Trifluoro-2-propanone;3-Phenyl-1,1,1-trifluoro-2-propanone;Benzyl trifluoromethyl ketone;NSC 10062;Trifluoromethyl benzyl ketone;
EINECS:	-0
Density:	1.235 g/cm³
Boiling Point:	183.9 °C at 760 mmHg
Flash Point:	74.4 °C
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	Xi,F
Risk Codes:	10
Safety:	16
PSA:	17.07000
LogP:	2.36050

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Specification

The IUPAC name of 1,1,1-Trifluoro-3-phenyl-2-propanone is 1,1,1-trifluoro-3-phenylpropan-2-one. With the CAS registry number 350-92-5, it is also named as 3-Phenyl-1,1,1-trifluoro-2-propanone. The product's categories are C9; Carbonyl Compounds; Ketones. Besides, it is clear colorless to light yellow liquid. It is flammable, so please keep away from sources of ignition. In addition, its molecular formula is C₉H₇F₃O and molecular weight is 188.15.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)XLogP3: 2.6; (7)Rotatable Bond Count: 2; (8)Tautomer Count: 2; (9)Exact Mass: 188.044899; (10)MonoIsotopic Mass: 188.044899; (11)Heavy Atom Count: 13; (12)Complexity: 180; (13)Polar Surface Area: 17.07 Å²; (14)Index of Refraction: 1.45; (15)Molar Refractivity: 40.92 cm³; (16)Molar Volume: 152.2 cm³; (17)Polarizability: 16.22×10^-24cm³; (18)Surface Tension: 28.6 dyne/cm; (19)Density: 1.235 g/cm³; (20)Flash Point: 74.4 °C; (21)Enthalpy of Vaporization: 42.01 kJ/mol; (22)Boiling Point: 183.9 °C at 760 mmHg; (23)Vapour Pressure: 0.754 mmHg at 25 °C.

Preparation of 1,1,1-Trifluoro-3-phenyl-2-propanone: this chemical can be prepared by 1,1,1-trifluoro-3-phenyl-propan-2-ol.

This reaction needs Dess-Martin periodinane and CH₂Cl₂at ambient temperature for 3 hours. The yield is 95 %.

Uses of 1,1,1-Trifluoro-3-phenyl-2-propanone: it can react with dibromofluoromethyltriphenylphosphonium bromide to get (3-bromo-3-fluoro-2-trifluoromethyl-allyl)-benzene.

This reaction needs triphenylphosphine. The yield is 59 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C(C=C1)CC(=O)C(F)(F)F
(2)InChI: InChI=1S/C9H7F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: IAJKTOIWQHTZOS-UHFFFAOYSA-N