3,5-dimethylpyridine

• ChemBase ID: 89762
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: n1cc(cc(c1)C)C
• Canonical SMILES: Cc1cncc(c1)C
• InChI: InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
• InChIKey: HWWYDZCSSYKIAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylpyridine
• IUPAC Traditional name: 3,5-dimethylpyridine
• Synonyms: 3,5-Lutidine; 3,5-Lutidine; 3,5-Dimethylpyridine 99%; 3,5-DIMETHYLPYRIDINE; 3,5-Dimethylpyridine; 3,5-LUTIDINE; 3,5-卢剔啶; 3,5-二甲基吡啶

Database IDs

• CAS Number: 591-22-0
• EC Number: 209-708-6
• MDL Number: MFCD00006404
• Beilstein Number: 105682
• PubChem SID: 24882272; 24896364; 162076618
• PubChem CID: 11565

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 1.2161748
• LogD (pH = 7.4): 1.7617836
• Log P: 1.7824162
• Molar Refractivity: 33.9835 cm^3
• Polarizability: 12.975646 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Solubility: Sol
• Melting Point: -7°C; -9 °C(lit.); -9°C
• Boiling Point: 169-170 °C(lit.); 169-170°C; 169-170°C
• Flash Point: 116.6 °F; 47 °C; 53°C; 53°C(127°F)
• Density: 0.939 g/mL at 25 °C(lit.); 0.94 g/ml; 0.941
• Refractive Index: 1.504; 1.5050; n20/D 1.504(lit.); n20/D 1.505
• Vapor Pressure: 1.5 mmHg ( 20 °C)
• Hydrophobicity(logP): 1.643

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Flammable/Toxic/Store under Argon
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 1993; UN1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/21/22-36/37/38-41; 10-21-24/25-36/37/38
• Safety Statements: 16-26-36; 26-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H315-H318-H332-H335; H301-H331-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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98%; ≥97.0% (GC); ≥98%; 95%; 99%
• Grade: technical
• Empirical Formula (Hill Notation): C7H9N

DETAILS

MP Biomedicals - 02151571

1 ml = approx. 0.94 gm
Purity: 98+%

MP Biomedicals - 05204337

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L4206

Packaging
100, 500 mL in glass bottle