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Acetamide,N,N-diethyl-2,2,2-trifluoro-

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Name

Acetamide,N,N-diethyl-2,2,2-trifluoro-

EINECS N/A
CAS No. 360-92-9 Density 1.14 g/cm3
PSA 20.31000 LogP 1.41710
Solubility N/A Melting Point N/A
Formula C6H10F3NO Boiling Point 182 oC
Molecular Weight 169.147 Flash Point 63.9 oC
Transport Information UN 1993 Appearance N/A
Safety 16-26-36 Risk Codes 10-20/21/22-36/37/38
Molecular Structure Molecular Structure of 360-92-9 (N,N-DIETHYL-2,2,2-TRIFLUOROACETAMIDE) Hazard Symbols HarmfulXn,IrritantXi,FlammableF
Synonyms

N,N-Diethyl-2,2,2-trifluoroacetamide;N,N-Diethyltrifluoroacetamide;NSC 14815;Trifluoroacetyl diethylamine;N,N-Diethyl-2,2,2-trifluoroacetamide 99%;Diethyltrifluoroacetamide;

Article Data 1

Acetamide,N,N-diethyl-2,2,2-trifluoro- Specification

The Acetamide,N,N-diethyl-2,2,2-trifluoro- with CAS registry number of 360-92-9 is also known as N,N-Diethyltrifluoroacetamide. Its IUPAC name is N,N-Diethyl-2,2,2-trifluoroacetamide. It belongs to product categories of Amides; Carbonyl Compounds; Organic Building Blocks. In addition, the formula is C6H10F3NO and the molecular weight is 169.14.

Physical properties about this chemical are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31Å2; (7)Index of Refraction: 1.376; (8)Molar Refractivity: 34.05 cm3; (9)Molar Volume: 148.3 cm3; (10)Polarizability: 13.5×10-24cm3; (11)Surface Tension: 23.1 dyne/cm; (12)Density: 1.14 g/cm3; (13)Flash Point: 63.9 °C; (14)Enthalpy of Vaporization: 41.82 kJ/mol; (15)Boiling Point: 182 °C at 760 mmHg; (16)Vapour Pressure: 0.83 mmHg at 25 °C; (17)MonoIsotopic Mass: 169.071449; (18)Topological Polar Surface Area: 20.3; (19)Heavy Atom Count: 11; (20)Formal Charge: 0; (21)Complexity: 139; (22)Isotope Atom Count: 0; (23)Defined Atom StereoCenter Count: 0; (24)Undefined Atom StereoCenter Count: 0; (25)Defined Bond StereoCenter Count: 0; (26)Undefined Bond StereoCenter Count: 0; (27)Covalently-Bonded Unit Count: 1.

Preparation of Acetamide,N,N-diethyl-2,2,2-trifluoro-: it is prepared by reaction of Trifluoro-acetic acid p-tolyl ester with Ethyl-phenyl-phosphingsaere-diethylamid. The reaction needs 20 minutes at ambient temperature. The yield is about 86%.

Acetamide,N,N-diethyl-2,2,2-trifluoro- is prepared by reaction of Trifluoro-acetic acid p-tolyl ester with Ethyl-phenyl-phosphingsaere-diethylamid.

Uses of Acetamide,N,N-diethyl-2,2,2-trifluoro-: it is used to produce 2,2,2-Trifluoro-1-(4-methylsulfanylphenyl)ethanone by reaction with 1-Bromo-4-methylsulfanyl-benzene. The reaction occurs with reagent BuLi and solvent Tetrahydrofuran cyclohexane at -78°C for 1 hour. The yield is 89%.

Acetamide,N,N-diethyl-2,2,2-trifluoro- is used to produce 2,2,2-Trifluoro-1-(4-methylsulfanylphenyl)ethanone by teaction with 1-Bromo-4-methylsulfanyl-benzene.

When you are using this chemical, please be cautious about it as the following: As a chemical, it is harmful by inhalation, swallowed or in contact with. What's more, it is skinirritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and keep away from sources of ignition. In case of contact 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(F)(F)C(=O)N(CC)CC
2. InChI: InChI=1/C6H10F3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
3. InChIKey: CODXZFSZJFCVBE-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C6H10F3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
5. Std. InChIKey: CODXZFSZJFCVBE-UHFFFAOYSA-N

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