4-Pyridinecarboxylicacid, 5-bromo-2-chloro-, methyl ester supplier

Name
Methyl 5-bromo-2-chloroisonicotinate
EINECS
CAS No. 886365-28-2
Density 1.684
Solubility
Melting Point
Formula C₇H₅BrClNO₂
Boiling Point 286.5oC at 760 mmHg
Molecular Weight 250.479
Flash Point 127.1oC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms METHYL 5-BROMO-2-CHLOROISONICOTINATE; 5-Bromo-2-chloro-4-pyridinecarboxylic acid methyl ester; 5-Bromo-2-chloro-4-(methoxycarbonyl)pyridine;
PSA 39.19000
LogP 2.28410

4-Pyridinecarboxylicacid, 5-bromo-2-chloro-, methyl ester Specification

This chemical is called 4-pyridinecarboxylic acid, 5-bromo-2-chloro-, methyl ester, and its systematic name is methyl 5-bromo-2-chloro-pyridine-4-carboxylate. With the molecular formula of C₇H₅BrClNO₂, its molecular weight is 250.4771. The CAS registry number of this chemical is 886365-28-2, and its product categories are Blocks; Bromides; Carboxes; Pyridines.

Other characteristics of the 4-pyridinecarboxylic acid, 5-bromo-2-chloro-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 39.19 Å²; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 48.7 cm³; (11)Molar Volume: 148.6 cm³; (12)Polarizability: 19.3×10^-24cm³; (13)Surface Tension: 48.6 dyne/cm; (14)Density: 1.684 g/cm³; (15)Flash Point: 127.1 °C; (16)Enthalpy of Vaporization: 52.56 kJ/mol; (17)Boiling Point: 286.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00263 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)c1cc(ncc1Br)Cl
2.InChI: InChI=1/C7H5BrClNO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3
3.InChIKey: ZGVAWYBJGMOKBV-UHFFFAOYAB

Product Name

Methyl 5-bromo-2-chloroisonicotinate

4-Pyridinecarboxylicacid, 5-bromo-2-chloro-, methyl ester Specification

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