2,5-dimethylpyridine

• ChemBase ID: 76847
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: n1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(cn1)C
• InChI: InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
• InChIKey: XWKFPIODWVPXLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpyridine
• IUPAC Traditional name: 2,5-dimethylpyridine
• Synonyms: 2,5-Dimethylpyridine; 2,5-Lutidine; 2,5-Lutidine; 2,5-Dimethylpyridine; 2,5-二甲基氮杂苯; 2,5-二甲基吡啶

Database IDs

• CAS Number: 589-93-5
• EC Number: 209-666-9
• MDL Number: MFCD00006343
• PubChem SID: 24849120; 162041749
• PubChem CID: 11526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6665391
• LogD (pH = 7.4): 1.3725208
• Log P: 1.400365
• Molar Refractivity: 33.5338 cm^3
• Polarizability: 12.975547 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -15 °C(lit.); -15°C
• Boiling Point: 157 °C(lit.); 157°C
• Flash Point: 118.4 °F; 48 °C; 48°C
• Density: 0.926; 0.926 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.499(lit.)
• Vapor Pressure: 2.4 mmHg ( 20 °C)
• Hydrophobicity(logP): 1.643

Safety Information

• Storage Warning: Flammable/Harmful/Irritant/Hygroscopic/Store under Argon
• RTECS: OK9625000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%; 95+%
• Empirical Formula (Hill Notation): C7H9N

DETAILS

Sigma Aldrich - 151351

Packaging
5 g in glass bottle