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6305-18-6

Basic Information
CAS No.: 6305-18-6
Name: 2-(4-METHOXYBENZOYL)PYRIDINE
Article Data: 38
Molecular Structure:
Molecular Structure of 6305-18-6 (2-(4-METHOXYBENZOYL)PYRIDINE)
Formula: C13H11NO2
Molecular Weight: 213.236
Synonyms: 4-Methoxyphenyl 2-pyridyl ketone;2-(4-Methoxybenzoyl)pyridine;Ketone,p-methoxyphenyl 2-pyridyl;p-Methoxyphenyl 2-pyridylketone;(4-methoxy-phenyl)-pyridin-2-yl-methanone;Methanone,(4-methoxyphenyl)-2-pyridinyl;2-p-methoxybenzoylpyridine;(4-methoxyphenyl)-2-pyridylmethanone;p-methoxyphenyl-2-pyridylmethanone;
Density: 1.154g/cm3
Melting Point: 60-61 °C
Boiling Point: 367°Cat760mmHg
Flash Point: 175.8°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 39.19000
LogP: 2.32120
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Chemistry

IUPAC Name: (4-methoxyphenyl)-pyridin-2-ylmethanone
Empirical Formula: C13H11NO2
Molecular Weight: 213.2319g/mol
Index of Refraction: 1.572
Molar Refractivity: 60.81 cm3
Molar Volume: 184.7 cm3
Polarizability: 24.1×10-24cm3
Surface Tension: 44.6 dyne/cm
Density: 1.154 g/cm3
Flash Point: 175.8 °C
Enthalpy of Vaporization: 61.35 kJ/mol
Boiling Point: 367 °C at 760 mmHg
Vapour Pressure: 1.4E-05 mmHg at 25°C 
SMILES: O=C(c1ccc(OC)cc1)c2ncccc2
InChI: InChI=1/C13H11NO2/c1-16-11-7-5-10(6-8-11)13(15)12-4-2-3-9-14-12/h2-9H,1H3
InChIKey: ZYZQOYSKLICWGX-UHFFFAOYAR
Std. InChI: InChI=1S/C13H11NO2/c1-16-11-7-5-10(6-8-11)13(15)12-4-2-3-9-14-12/h2-9H,1H3
Std. InChIKey: ZYZQOYSKLICWGX-UHFFFAOYSA-N
Structure of p-Methoxyphenyl 2-pyridylketone (CAS NO.6305-18-6):

Toxicity Data With Reference

1.    

ipr-mus LD50:>1 g/kg

    JMCMAR    Journal of Medicinal Chemistry. 14 (1971),551.

Safety Profile

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

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

  p-Methoxyphenyl 2-pyridylketone ,  its cas register number is 6305-18-6. It also can be called 5-21-12-00521 (Beilstein Handbook Reference) ; BRN 0152914 . When heated to decomposition it emits toxic vapors of NOx.