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73372-63-1

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Basic Information
CAS No.: 73372-63-1
Name: 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 73372-63-1 (5-(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid)
Formula: C16H14N2O6
Molecular Weight: 330.297
Density: 1.36g/cm3
Boiling Point: 464.1°Cat760mmHg
Flash Point: 234.5°C
Safety: Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
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Chemistry

Molecule structure of Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate (CAS NO.73372-63-1):

IUPAC Name: 5-Methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid 
Molecular Weight: 330.29216 g/mol
Molecular Formula: C16H14N2O6 
Density: 1.36 g/cm3 
Boiling Point: 464.1 °C at 760 mmHg 
Flash Point: 234.5 °C
Index of Refraction: 1.607
Molar Refractivity: 83.83 cm3
Molar Volume: 242.7 cm3
Polarizability: 33.23×10-24 cm3
Surface Tension: 58.9 dyne/cm 
Enthalpy of Vaporization: 76.43 kJ/mol
Vapour Pressure: 2.07E-09 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 4
Tautomer Count: 15
Exact Mass: 330.085186
MonoIsotopic Mass: 330.085186
Topological Polar Surface Area: 120
Heavy Atom Count: 24
Complexity: 505
Canonical SMILES: CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C16H14N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-6-4-5-7-11(10)18(22)23/h4-7H,1-3H3,(H,19,20)
InChIKey of Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate (CAS NO.73372-63-1): LCCVJQVUSQPANR-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-mus LD50:>2 g/kg

     YACHDS    Yakuri to Chiryo. Pharmacology and Therapeutics. 21 (Suppl 4)(1993),S939.

Safety Profile

Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate (CAS NO.73372-63-1) is also named as 5-Methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinecarboxylic acid ; BAY-o-2820 ; BRN 5618363 ; MP2689 ; 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrophenyl)-, monomethyl ester .