3,4-dimethylpyridine

• ChemBase ID: 76856
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: n1cc(c(cc1)C)C
• Canonical SMILES: Cc1cnccc1C
• InChI: InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
• InChIKey: NURQLCJSMXZBPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethylpyridine
• IUPAC Traditional name: 3,4-dimethylpyridine
• Synonyms: 3,4-Dimethylpyridine; 3,4-Lutidine; 3,4-Lutidine; 3,4-Dimethylpyridine; 3,4-卢剔啶; 3,4-二甲基吡啶

Database IDs

• CAS Number: 583-58-4
• EC Number: 209-511-5
• MDL Number: MFCD00006403
• Beilstein Number: 106583
• PubChem SID: 162041758; 24896361
• PubChem CID: 11417

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1222686
• LogD (pH = 7.4): 1.7506684
• Log P: 1.7824162
• Molar Refractivity: 33.9835 cm^3
• Polarizability: 12.973969 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -11°C; -12 °C(lit.)
• Boiling Point: 163-164 °C(lit.); 163-164°C
• Flash Point: 116.6 °F; 47 °C; 47°C(116°F)
• Density: 0.954 g/mL at 25 °C(lit.); 0.955
• Refractive Index: 1.5120; n20/D 1.511(lit.)
• Hydrophobicity(logP): 1.593

Safety Information

• Storage Warning: Toxic/Flammable/Hygroscopic
• RTECS: OK9800000
• European Hazard Symbols: Toxic (T)
• UN Number: 2929; UN2929
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 10-22-23/24-36/37/38; 10-23/24/25-36/37/38; R:22-27
• 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 + H331-H315-H319-H335; H310-H331-H302-H315-H319-H335-H226
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311; P280H-P305+P351+P338-P302+P352-P321-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 2929 6.1/PG 2

Product Information

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

DETAILS

MP Biomedicals - 05212305

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L4001

Packaging
100, 500 g in glass bottle