5-Chloro-2-methoxynicotinic acid supplier

Name
5-Chloro-2-methoxynicotinic acid
EINECS
CAS No. 54916-65-3
Article Data7
CAS DataBase
Density 1.43g/cm³
Solubility
Melting Point 146-148°C
Formula C₇H₆ClNO₃
Boiling Point 301.345 °C at 760 mmHg
Molecular Weight 187.58
Flash Point 136.049 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-CHLORO-2-METHOXYNICOTINIC ACID;5-Chloro-2-methoxypyridine-3-carboxylic acid;5-Chloro-2-methoxypyridine-3-carboxylic acid, 3-Carboxy-5-chloro-2-methoxypyridine
PSA 59.42000
LogP 1.44180

5-Chloro-2-methoxynicotinic acid Specification

The 5-Chloro-2-methoxynicotinic acid, with CAS registry number 54916-65-3, has the systematic name of 5-chloro-2-methoxypyridine-3-carboxylic acid. Besides this, it is also called 3-pyridinecarboxylic acid, 5-chloro-2-methoxy-. And the chemical formula of this chemical is C₇H₆ClNO₃.

Physical properties of 5-Chloro-2-methoxynicotinic acid: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.42 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 42.848 cm³; (15)Molar Volume: 131.14 cm³; (16)Polarizability: 16.986×10^-24cm³; (17)Surface Tension: 54.362 dyne/cm; (18)Density: 1.43 g/cm³; (19)Flash Point: 136.049 °C; (20)Enthalpy of Vaporization: 57.179 kJ/mol; (21)Boiling Point: 301.345 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methoxy-nicotinic acid. This reaction will need reagent NaOCl (Clorox). The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(OC)c(C(=O)O)c1
(2)InChI: InChI=1/C7H6ClNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
(3)InChIKey: DPIJNAABZCWXFD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H6ClNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: DPIJNAABZCWXFD-UHFFFAOYSA-N

Product Name

5-Chloro-2-methoxynicotinic acid

5-Chloro-2-methoxynicotinic acid Specification

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