2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBONYL CHLORIDE

The 5-Pyrimidinecarbonylchloride, 2-chloro-4-(trifluoromethyl)- is an organic compound with the formula C₆HCl₂F₃N₂O. The IUPAC name of this chemical is 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride. With the CAS registry number 154934-99-3, it is also named as 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl. The product's categories are APIs and Intermediate; Pyrimidine. Besides, its molecular weight is 379.45.

Physical properties about 5-Pyrimidinecarbonylchloride, 2-chloro-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 5.96; (5)ACD/BCF (pH 7.4): 5.96; (6)ACD/KOC (pH 5.5): 124.93; (7)ACD/KOC (pH 7.4): 124.93; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.85 Å²; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 42.55 cm³; (13)Molar Volume: 147.7 cm³; (14)Polarizability: 16.86×10^-24 cm³; (15)Surface Tension: 40.3 dyne/cm; (16)Density: 1.658 g/cm³; (17)Flash Point: 153 °C; (18)Enthalpy of Vaporization: 57.19 kJ/mol; (19)Boiling Point: 329.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000178 mmHg at 25 °C.

Uses of 5-Pyrimidinecarbonylchloride, 2-chloro-4-(trifluoromethyl)-: it can be used to produce 2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3-methyl-isoxazol-5-yl)-amide. It will need reagent Amberlyst A-21 ion-exchange resin and solvent ethyl acetate with reaction time of 0.3 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is causes burns. When you are using it, wear suitable gloves and eye/face protection. 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)InChI: InChI=1/C6HCl2F3N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H
(2)InChIKey: BTRSILVUNQWNDR-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C6HCl2F3N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H
(4)Std. InChIKey: BTRSILVUNQWNDR-UHFFFAOYSA-N