3-Pyridinecarboxylicacid, 5-bromo-2-chloro-, methyl ester (78686-79-0)

The 3-Pyridinecarboxylicacid, 5-bromo-2-chloro-, methyl ester has its cas register number 78686-79-0. And its systematic name is methyl 5-bromo-2-chloropyridine-3-carboxylate. Besides, it has other synonyms, such as methyl 5-bromo-2-chloronicotinate; methyl 5-bromo-2-chloronicotinate 98%; methyl 5-bromo-2-chloro-3-pyridinecarboxylate; 5-bromo-2-chloronicotinic acid methyl ester.

The physical properties of this chemical are as followings: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 23.89; (5)ACD/BCF (pH 7.4): 23.89; (6)ACD/KOC (pH 5.5): 337.44; (7)ACD/KOC (pH 7.4): 337.44; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.19; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 48.7 cm³; (13)Molar Volume: 148.6 cm³; (14)Polarizability: 19.3×10^-24 cm³; (15)Surface Tension: 48.6 dyne/cm; (16)Density: 1.684 g/cm³; (17)Flash Point: 120.5 °C; (18)Enthalpy of Vaporization: 51.41 kJ/mol; (19)Boiling Point: 275.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00504 mmHg at 25°C.

Being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. As to its usage, it is usually applied in the pharmaceutics, mainly as the medical intermediatds. And its product categories are including blocks; bromides; carboxes; pyridines; pyridine; esters. When comes to its market information, there are many supplier in China, such as BePharm,Ltd. which could provide it with packing of 1g; 10g; 100g; 1kg; 10kg.

In addition, you could obtain the molecular structure by converting the following datas:
SMILES:O=C(OC)c1cc(Br)cnc1Cl
InChI:InChI=1/C7H5BrClNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChIKey:MOMQDEDQGJAKII-UHFFFAOYAS