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Benzoyl fluoride

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Name

Benzoyl fluoride

EINECS 207-244-9
CAS No. 455-32-3 Density 1.129 g/cm3
PSA 17.07000 LogP 1.79630
Solubility Hydrolyses in water. Melting Point -28 °C(lit.)
Formula C7H5FO Boiling Point 154.5 °C at 760 mmHg
Molecular Weight 124.115 Flash Point 54.3 °C
Transport Information UN 2920 Appearance clear yellow to red-brown liquid
Safety 16-26-27-36/37/39-45 Risk Codes 10-34
Molecular Structure Molecular Structure of 455-32-3 (Benzoyl fluoride) Hazard Symbols CorrosiveC,ToxicT,FlammableF
Synonyms

BENZOYL FLUORIDE;Benzoyl fluoride 99%;Benzoylfluoride99%;Benzoic acid fluoride;Benzoyl fluoride,98%

Article Data 192

Benzoyl fluoride Specification

This chemical is called Benzoyl fluoride, and its CAS registry number is 455-32-3. It's clear yellow to red-brown liquid. The product Categories of this chemical are Acid Halides; Carbonyl Compounds; Organic Building Blocks. Additionally, this chemical should be sealed in the cool and dry place, away from the oxides.

Other characteristics of the Benzoyl fluoride can be summarised as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.77; (6)ACD/BCF (pH 7.4): 17.77; (7)ACD/KOC (pH 5.5): 273.01; (8)ACD/KOC (pH 7.4): 273.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 31.81 cm3; (15)Molar Volume: 109.9 cm3; (16)Polarizability: 12.61×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 54.3 °C; (20)Enthalpy of Vaporization: 39.13 kJ/mol; (21)Boiling Point: 154.5 °C at 760 mmHg; (22)Vapour Pressure: 3.17 mmHg at 25°C.

Production method of this chemical: The Benzoyl fluoride could be obtained by the reactant of benzoyl chloride. This reaction needs the reagent of KF-Al2O3(SiN), and the solvent of acetonitrile. The yield is 99 %. In addition, this reaction should be taken for 0.2 hours at ambient temperature.

Uses of this chemical: The Benzoyl fluoride could react with 4-trimethylsilanyl-morpholine, and obtain the 4-benzoyl-morpholine. This reaction needs the catalyst of tetrabutylammonium fluoride, and the solvent of acetonitrile. The yield is 97 %. In addition, this reaction should be taken for 6 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is flammable and it causes burns. Keep it away from sources of ignition. Wear suitable protective clothing, gloves and eye/face protection if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(=O)c1ccccc1
2.InChI: InChI=1/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H
3.InChIKey: HPMLGNIUXVXALD-UHFFFAOYAA

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