2-benzoylpyridine

• ChemBase ID: 75120
• Molecular Formular: C12H9NO
• Molecular Mass: 183.20596
• Monoisotopic Mass: 183.06841391
• SMILES: O=C(c1ccccn1)c1ccccc1
• Canonical SMILES: O=C(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
• InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzoylpyridine
• IUPAC Traditional name: phenyl-A-pyridylketone
• Synonyms: Phenyl 2-pyridyl ketone; 2-Benzoylpyridine; Phenyl pyridin-2-yl ketone; 2-Benzoylpyridine; phenyl(pyridin-2-yl)methanone; 苯基-2-吡啶基甲酮; 2-苯甲酰基吡啶; 2-苯甲酰吡啶

Database IDs

• CAS Number: 91-02-1
• EC Number: 202-034-3
• MDL Number: MFCD00006300
• Beilstein Number: 120283
• PubChem SID: 24847970; 162040038; 24891590
• PubChem CID: 7038

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6003885
• LogD (pH = 7.4): 2.600772
• Log P: 2.6007767
• Molar Refractivity: 54.1046 cm^3
• Polarizability: 21.0994 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-43 °C; 41-43 °C(lit.); 41-45°C; 41-45°C
• Boiling Point: 313°C; 313-317°C; 317 °C(lit.)
• Flash Point: 150 °C; 150°C; 167°C(332°F); 302 °F
• Density: 1.156; 1.16

Safety Information

• Storage Warning: Irritant/Store under Argon
• RTECS: OB6400000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC); ≥99%; 95+%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C12H9NO

DETAILS

MP Biomedicals - 05215265

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B14000

Packaging
25, 100 g in glass bottle