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18699-87-1

Basic Information
CAS No.: 18699-87-1
Name: 2-Methyl-3-nitropyridine
Article Data: 50
Molecular Structure:
Molecular Structure of 18699-87-1 (2-Methyl-3-nitropyridine)
Formula: C6H6N2O2
Molecular Weight: 138.126
Synonyms: 3-Nitro-2-methylpyridine;3-Nitro-2-picoline;NSC 311455;2-Picoline,3-nitro- (7CI,8CI);2-Methyl-3-nitropyridine;
EINECS: -0
Density: 1.246 g/cm3
Melting Point: 32-33 °C
Boiling Point: 213.8 °C at 760 mmHg
Flash Point: 83.1 °C
Appearance: beige moist crystals
Hazard Symbols: Xn
Risk Codes: C,Xi,F
PSA: 58.71000
LogP: 1.82140
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Specification

The 2-Methyl-3-nitropyridine is also its systematic name and IUPAC name. Its cas registry number is 18699-87-1. According to its molecular structure, this chemical belongs to the categories in nitro; pyridine; pyridines.

Physical properties about this chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.558; (7)Molar Refractivity: 35.71 cm3; (8)Molar Volume: 110.7 cm3; (9)Surface Tension: 49.9 dyne/cm; (10)Density: 1.246 g/cm3; (11)Flash Point: 83.1 °C; (12)Enthalpy of Vaporization: 43.18 kJ/mol; (13)Boiling Point: 213.8 °C at 760 mmHg; (14)Vapour Pressure: 0.235 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cccnc1C;
(2)InChI: InChI=1/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3;
(3)InChIKey: CCFGTKQIRWHYTB-UHFFFAOYAB