Molecule structure of 2-Ethoxy-5-nitropyridine (CAS NO.31594-45-3):
IUPAC Name: 2-Ethoxy-5-nitropyridine
Molecular Weight: 168.15002 g/mol
Molecular Formula: C7H8N2O3
Density: 1.245 g/cm3
Melting Point: 90-94 °C(lit.)
Boiling Point: 272.3 °C at 760 mmHg
Flash Point: 118.5 °C
Index of Refraction: 1.537
Molar Refractivity: 42.2 cm3
Molar Volume: 135 cm3
Surface Tension: 46.9 dyne/cm
Enthalpy of Vaporization: 49 kJ/mol
Vapour Pressure: 0.0102 mmHg at 25 °C
XLogP3: 1.9
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 168.053492
MonoIsotopic Mass: 168.053492
Topological Polar Surface Area: 65.3
Heavy Atom Count: 12
Canonical SMILES: CCOC1=NC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C7H8N2O3/c1-2-12-7-4-3-6(5-8-7)9(10)11/h3-5H,2H2,1H3
InChIKey: LYDVDLYMQVSLQD-UHFFFAOYSA-N
Product Categories of 2-Ethoxy-5-nitropyridine (CAS NO.31594-45-3): Pyridines, Pyrimidines, Purines and Pteredines; Pyridines; C7 and C8; Heterocyclic Building Blocks
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
2-Ethoxy-5-nitropyridine (CAS NO.31594-45-3) is also named as Pyridine, 2-ethoxy-5-nitro- ; 2-(Ethyloxy)-5-(nitro)pyridine ; 2-Ethoxy-5-nitro pyridine ; 2-Ethoxy-5-nitropyridine 97% .
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