2,4-dimethylpyridine

• ChemBase ID: 76846
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: n1c(cc(cc1)C)C
• Canonical SMILES: Cc1ccnc(c1)C
• InChI: InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3
• InChIKey: JYYNAJVZFGKDEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpyridine
• IUPAC Traditional name: 2,4-dimethylpyridine
• Synonyms: 2,4-Lutidine; 2,4-Dimethylpyridine; 2,4-Dimethylpyridine; 2,4-Lutidine; 2,4-卢剔啶; 2,4-二甲基吡啶

Database IDs

• CAS Number: 108-47-4
• EC Number: 203-586-8
• MDL Number: MFCD00006337
• Beilstein Number: 1506
• PubChem SID: 24896348; 162041748
• PubChem CID: 7936

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.4410962
• LogD (pH = 7.4): 1.3417729
• Log P: 1.400365
• Molar Refractivity: 33.5338 cm^3
• Polarizability: 12.974262 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60 °C(lit.); -60°C; -61 - -60°C
• Boiling Point: 158-160°C; 159 °C(lit.)
• Flash Point: 116.6 °F; 47 °C; 47°C(117°F)
• Density: 0.927 g/mL at 25 °C(lit.); 0.931
• Refractive Index: 1.5000; n20/D 1.499(lit.)
• Hydrophobicity(logP): 1.643

Safety Information

• Storage Warning: Toxic/Flammable/Hygroscopic
• RTECS: OK9400000
• European Hazard Symbols: Toxic (T)
• UN Number: 1992; UN1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-21-23/25-36/37/38; 10-23/24/25-36/37/38; R:25
• Safety Statements: 16-26-36/37/39-45; 26-36/37-45; S:28-29-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H311-H315-H319-H331-H335; H301-H331-H312-H315-H319-H335-H226
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311; 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 1992 3/PG 3

Product Information

• Purity: 95%; 95+%; 98+%; 99%
• Empirical Formula (Hill Notation): C7H9N

DETAILS

MP Biomedicals - 05213760

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L3609

Packaging
5, 100, 500 mL in glass bottle