Methyl 2-chloropyrimidine-5-carboxylate

The Methyl 2-chloropyrimidine-5-carboxylate, with the CAS registry number 287714-35-6, is also known as 2-Chloropyrimidine-5-carboxylicacid methyl ester. This chemical's molecular formula is C₆H₅ClN₂O₂ and formula weight is 172.57. What's more, its systematic name is methyl 2-chloropyrimidine-5-carboxylate.

Physical properties of Methyl 2-chloropyrimidine-5-carboxylate are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/BCF (pH 5.5): 2.74; (5)ACD/KOC (pH 5.5): 71.52; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 52.08 Å²; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 39.1 cm³; (12)Molar Volume: 125.7 cm³; (13)Surface Tension: 51.1 dyne/cm; (14)Density: 1.372 g/cm³; (15)Flash Point: 137.8 °C; (16)Enthalpy of Vaporization: 54.46 kJ/mol; (17)Boiling Point: 304.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000883 mmHg at 25°C.

Uses of Methyl 2-chloropyrimidine-5-carboxylate: it can be used to produce 2-hydrazino-pyrimidine-5-carboxylic acid methyl ester at the temperature of 0 - 5°C. It will need reagent hydrazine hydrate and solvent methanol with the reaction time of 40 min. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You shoul not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c2c(sc1)ccnc2
(2)InChI:InChI=1S/C7H4BrNS/c8-6-4-10-7-1-2-9-3-5(6)7/h1-4H
(3)InChIKey: AELJTKUDYYGBSY-UHFFFAOYSA-N