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Molecule structure of 2,6-Dimethyl-3-nitropyridine (CAS NO.15513-52-7):
IUPAC Name: 2,6-Dimethyl-3-nitropyridine
Molecular Weight: 152.15062 g/mol
Molecular Formula: C7H8N2O2
Density: 1.197 g/cm3
Melting Point: 26-31 °C(lit.)
Boiling Point: 235.4 °C at 760 mmHg
Flash Point: 96.2 °C
Index of Refraction: 1.551
Molar Refractivity: 40.53 cm3
Molar Volume: 127 cm3
Surface Tension: 46.7 dyne/cm
Enthalpy of Vaporization: 45.31 kJ/mol
Vapour Pressure: 0.0766 mmHg at 25 °C
Storage Temp.: flammables area
XLogP3-AA: 1.5
H-Bond Acceptor: 3
Exact Mass: 152.058578
MonoIsotopic Mass: 152.058578
Topological Polar Surface Area: 56
Heavy Atom Count: 11
Canonical SMILES: CC1=NC(=C(C=C1)[N+](=O)[O-])C
InChI: InChI=1S/C7H8N2O2/c1-5-3-4-7(9(10)11)6(2)8-5/h3-4H,1-2H3
InChIKey: AETHUDGJSSKZKT-UHFFFAOYSA-N
EINECS: 239-543-5
Product Categories: Pyridine; C7 and C8; Heterocyclic Building Blocks; Pyridines
Hazard Codes: F, Xi, Xn
Risk Statements: 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1325 4.1/PG 3
WGK Germany: 3
Hazard Note: Irritant
2,6-Dimethyl-3-nitropyridine (CAS NO.15513-52-7) is also named as Pyridine, 2,6-dimethyl-3-nitro- ; 3-Nitro-2,6-dimethylpyridine ; 3-Nitro-2,6-lutidine . 2,6-Dimethyl-3-nitropyridine (CAS NO.15513-52-7) is off-white to tan powder.