Methyl 5-chloro-2-pyridinecarboxylate supplier

Name
5-Chloropyridine-2-carboxylic acid methyl ester
EINECS
CAS No. 132308-19-1
Article Data2
CAS DataBase
Density 1.294 g/cm³
Solubility
Melting Point 85-87 °C
Formula C₇H₆ClNO₂
Boiling Point 247.4 °C at 760 mmHg
Molecular Weight 171.583
Flash Point 103.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloropyridine-2-carboxylicacidmethylester;methyl 5-chloropyridine-2-carboxylate;
PSA 39.19000
LogP 1.52160

Methyl 5-chloro-2-pyridinecarboxylate Specification

The 5-Chloropyridine-2-carboxylic acid methyl ester, with the CAS registry number of 132308-19-1, is also known as 2-Pyridinecarboxylic acid, 5-chloro-, methyl ester. Its molecular formula is C₇H₆ClNO₂ and molecular weight is 171.58104. What's more, its systematic name is Methyl 5-chloropyridine-2-carboxylate.

Physical properties about the 5-Chloropyridine-2-carboxylic acid methyl ester are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.9; (6)ACD/BCF (pH 7.4): 5.9; (7)ACD/KOC (pH 5.5): 124.04; (8)ACD/KOC (pH 7.4): 124.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 41.01 cm³; (15)Molar Volume: 132.5 cm³; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.294 g/cm³; (18)Flash Point: 103.4 °C; (19)Enthalpy of Vaporization: 48.45 kJ/mol; (20)Boiling Point: 247.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0257 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cnc(C(=O)OC)cc1
(2) InChI: InChI=1/C7H6ClNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
(3) InChIKey: QHFFLLBWCXVJGO-UHFFFAOYAW

Product Name

5-Chloropyridine-2-carboxylic acid methyl ester

Methyl 5-chloro-2-pyridinecarboxylate Specification

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