3-methyl-2-phenylpyridine

• ChemBase ID: 111969
• Molecular Formular: C12H11N
• Molecular Mass: 169.22244
• Monoisotopic Mass: 169.08914936
• SMILES: Cc1c(nccc1)c1ccccc1
• Canonical SMILES: Cc1cccnc1c1ccccc1
• InChI: InChI=1S/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3
• InChIKey: BJATUPPYBZHEIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-2-phenylpyridine
• IUPAC Traditional name: 3-methyl-2-phenylpyridine
• Synonyms: 3-METHYL-2-PHENYLPYRIDINE; 3-Methyl-2-phenylpyridine; 3-甲基-2-苯基吡啶

Database IDs

• CAS Number: 10273-90-2
• EC Number: 233-619-1
• MDL Number: MFCD00006283
• PubChem SID: 162097146
• PubChem CID: 66302

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2071648
• LogD (pH = 7.4): 3.3007252
• Log P: 3.3020704
• Molar Refractivity: 53.7065 cm^3
• Polarizability: 22.305391 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 204.8 °F; 96 °C
• Density: 1.065 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.6030(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97%; 95+%; 98%
• Empirical Formula (Hill Notation): C12H11N

DETAILS

MP Biomedicals - 05222009

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 198862

Application
Intermediate in the synthesis of 4-azafluorene and δ-carboline.1