2,3-dimethylpyridine

• ChemBase ID: 76844
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: n1c(c(ccc1)C)C
• Canonical SMILES: Cc1ncccc1C
• InChI: InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
• InChIKey: HPYNZHMRTTWQTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylpyridine
• IUPAC Traditional name: 2,3-dimethylpyridine
• Synonyms: 2,3-Lutidine; 2,3-Dimethylpyridine; 2,3-Dimethylpyridine; 2,3-Lutidine; 2,3-二甲吡啶; 2,3-二甲基吡啶

Database IDs

• CAS Number: 583-61-9
• EC Number: 209-514-1
• MDL Number: MFCD00009605
• Beilstein Number: 106418
• PubChem SID: 24896341; 162041746
• PubChem CID: 11420

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6405495
• LogD (pH = 7.4): 1.3700639
• Log P: 1.400365
• Molar Refractivity: 33.5338 cm^3
• Polarizability: 12.975754 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.); -17°C
• Boiling Point: 160-161°C; 162-163 °C(lit.)
• Flash Point: 122 °F; 50 °C; 50°C(122°F)
• Density: 0.945 g/mL at 25 °C(lit.); 0.948
• Refractive Index: 1.5080; n20/D 1.508(lit.)

Safety Information

• Storage Warning: Harmful/Flammable
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1993; UN2929
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 3; II
• Risk Statements: 10-20/21/22-36/37/38; 10-22-37/38-41
• Safety Statements: 16-26-39; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H315-H318-H335; H331-H302-H312-H315-H319-H335-H226
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P304+P340-P310
• 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: 99%
• Empirical Formula (Hill Notation): C7H9N

DETAILS

Sigma Aldrich - L3501

Packaging
100 mL in glass bottle