CAS No.53277-47-7,Methyl 4-chloro-6-methylnicotinate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53277-47-7
Name:	Methyl 4-chloro-6-methylnicotinate
Article Data:	23

Formula:	C₈H₈ClNO₂
Molecular Weight:	185.61
Synonyms:	2-Chloro-6-methyl-3-pyridinecarboxylicacid methyl ester;2-Chloro-6-methylnicotinic acid methyl ester;Methyl 2-chloro-6-methylnicotinate;Methyl 2-chloro-6-methylpyridine-3-carboxylate;
EINECS:	692-363-2
Density:	1.248 g/cm³
Melting Point:	27-28 °C
Boiling Point:	252.577 °C at 760 mmHg
Flash Point:	106.555 °C
PSA:	39.19000
LogP:	1.83000

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Specification

The 3-Pyridinecarboxylicacid, 2-chloro-6-methyl-, methyl ester, with the CAS registry number 53277-47-7, is also known as Methyl 2-chloro-6-methylnicotinate. This chemical's molecular formula is C₈H₈ClNO₂ and molecular weight is 185.609. What's more, its systematic name is Methyl 2-chloro-6-methylpyridine-3-carboxylate.

Physical properties about 3-Pyridinecarboxylicacid, 2-chloro-6-methyl-, methyl ester are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 201; (8)ACD/KOC (pH 7.4): 201; (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: 1.528; (14)Molar Refractivity: 45.837 cm³; (15)Molar Volume: 148.776 cm³; (16)Polarizability: 18.171×10^-24 cm³; (17)Surface Tension: 42.464 dyne/cm; (18)Density: 1.248 g/cm³; (19)Flash Point: 106.555 °C; (20)Enthalpy of Vaporization: 48.993 kJ/mol; (21)Boiling Point: 252.577 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccc(C)nc1Cl
(2) InChI: InChI=1/C8H8ClNO2/c1-5-3-4-6(7(9)10-5)8(11)12-2/h3-4H,1-2H3
(3) InChIKey: SHKDOGHJQHIIRD-UHFFFAOYAG