5-Chloro-2-methyl-nicotinic acid methyl ester supplier

Name
5-CHLORO-2-METHYL-NICOTINIC ACID METHYL ESTER
EINECS
CAS No. 350597-49-8
Article Data4
CAS DataBase
Density 1.248 g/cm³
Solubility
Melting Point 45-47℃
Formula C₈H₈ClNO₂
Boiling Point 233.5 °C at 760 mmHg
Molecular Weight 185.61
Flash Point 95 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarboxylic acid, 5-chloro-2-methyl-, methyl ester;Methyl 5-chloro-2-methylnicotinate;
PSA 39.19000
LogP 1.83000

5-Chloro-2-methyl-nicotinic acid methyl ester Specification

The 5-Chloro-2-methylnicotinic acid methyl ester, with the CAS registry number 350597-49-8, is also known as Methyl 5-chloro-2-methylnicotinate. This chemical's molecular formula is C₈H₈ClNO₂ and molecular weight is 185.61. What's more, its systematic name is methyl 5-chloro-2-methylpyridine-3-carboxylate.

Physical properties of 5-Chloro-2-methylnicotinic acid methyl ester are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/BCF (pH 5.5): 29.95; (5)ACD/BCF (pH 7.4): 29.96; (6)ACD/KOC (pH 5.5): 396.66; (7)ACD/KOC (pH 7.4): 396.71; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å²; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 45.83 cm³; (14)Molar Volume: 148.7 cm³; (15)Surface Tension: 42.4 dyne/cm; (16)Density: 1.247 g/cm³; (17)Flash Point: 95 °C; (18)Enthalpy of Vaporization: 47.02 kJ/mol; (19)Boiling Point: 233.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0558 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(Cl)cnc1C
(2)InChI: InChI=1S/C8H8ClNO2/c1-5-7(8(11)12-2)3-6(9)4-10-5/h3-4H,1-2H3
(3)InChIKey: KYEIGXOFICMHDP-UHFFFAOYSA-N

Product Name

5-CHLORO-2-METHYL-NICOTINIC ACID METHYL ESTER

5-Chloro-2-methyl-nicotinic acid methyl ester Specification

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