BENZYL 2,2,2-TRICHLOROACETIMIDATE

The 2,2,2-Trichloro-1-phenylmethoxy-ethanimine, with the CAS registry number 81927-55-1, is also known as Ethanimidic acid, 2,2,2-trichloro-, phenylmethyl ester. It belongs to the product categories of Benzene Series; Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry. This chemical's molecular formula is C₉H₈Cl₃NO and molecular weight is 252.52. What's more, both its IUPAC name and systematic name are the same which is called Benzyl 2,2,2-trichloroethanimidate. This chemical is clear colorless to yellow liquid. It is should be kept in a airtight and dry place.

Physical properties about 2,2,2-Trichloro-1-phenylmethoxy-ethanimine are: (1) ACD/LogP: 2.83; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4; (4) ACD/LogD (pH 7.4):  ; (5) ACD/BCF (pH 5.5): 274; (6) ACD/BCF (pH 7.4): 274; (7) ACD/KOC (pH 5.5): 1935; (8) ACD/KOC (pH 7.4): 1936; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 33.08 Å²; (13) Index of Refraction: 1.55; (14) Molar Refractivity: 59.11 cm³; (15) Molar Volume: 185.532 cm³; (16) Surface Tension: 42.886 dyne/cm; (17) Density: 1.361 g/cm³; (18) Flash Point: 106.952 °C; (19) Enthalpy of Vaporization: 53.88 kJ/mol; (20) Boiling Point: 319.54 °C at 760 mmHg; (21) Vapour Pressure: 0.001 mmHg at 25 °C.

Preparation of 2,2,2-Trichloro-1-phenylmethoxy-ethanimine: this chemical can be prepared by Trichloroacetonitrile with Phenylmethanol.

This reaction needs reagent 50 percent aq. Potassium hydroxide, Tetra-n-butylammonium hydrogen sulfate and solvent CH₂Cl₂ at temperature of -15-25 °C. The reaction time is 1 hour. The yield is 97 %.

Uses of 2,2,2-Trichloro-1-phenylmethoxy-ethanimine: it is used to produce other chemicals. For example, it is used to produce 2,2,2-Trichloro-acetamide.

The reaction occurs with reagent Trifluoromethanesulfonic acid, Cyclohexane and solvent CH₂Cl₂ at ambient temperature for 18 hours. The yield is 87 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it is harmful if swallowed and it may cause damage to health. Therefore, in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)C(=N)OCc1ccccc1
(2) InChI: InChI=1/C9H8Cl3NO/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5,13H,6H2
(3) InChIKey: HUZCTWYDQIQZPM-UHFFFAOYAN