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| CAS No.: | 360-92-9 |
|---|---|
| Name: | N,N-DIETHYL-2,2,2-TRIFLUOROACETAMIDE |
| Molecular Structure: | |
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|
|
| Formula: | C6H10F3NO |
| Molecular Weight: | 169.147 |
| Synonyms: | N,N-Diethyl-2,2,2-trifluoroacetamide;N,N-Diethyltrifluoroacetamide;NSC 14815;Trifluoroacetyl diethylamine;N,N-Diethyl-2,2,2-trifluoroacetamide 99%;Diethyltrifluoroacetamide; |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 182 oC |
| Flash Point: | 63.9 oC |
| Hazard Symbols: |
 Xn, Xi, F
|
| Risk Codes: | 10-20/21/22-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1993 |
| PSA: | 20.31000 |
| LogP: | 1.41710 |
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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%.
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%.
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