2,4,6-trimethylpyridine

• ChemBase ID: 89274
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: n1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)nc(c1)C
• InChI: InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
• InChIKey: BWZVCCNYKMEVEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethylpyridine
• IUPAC Traditional name: 2,4,6-collidine
• Synonyms: 2,4,6-Collidine; 2,4,6-Trimethylpyridine; 2,4,6-Collidine; 2,4,6-Trimethylpyridine; 2,4,6-Trimethylpyridine; sym-Collidine; 2,4,6-COLLIDINE; 2,4,6-三甲基氮杂苯; 可力丁; 2,4,6-三甲基吡啶

Database IDs

• CAS Number: 108-75-8
• EC Number: 203-613-3
• MDL Number: MFCD00006338
• Beilstein Number: 107283
• Merck Index: 149718
• PubChem SID: 24856725; 162076155; 24848523
• PubChem CID: 7953

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.0325026
• LogD (pH = 7.4): 1.2789286
• Log P: 1.5317351
• Molar Refractivity: 38.1253 cm^3
• Polarizability: 14.741129 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -43 °C(lit.); -43°C; -43°C
• Boiling Point: 170-172°C; 171-172 °C(lit.); 171-172°C; 171-172°C
• Flash Point: 131 °F; 53°C; 54°C(129°F); 55 °C; 55°C
• Density: 0.914 g/mL at 20 °C; 0.916; 0.917; 0.917 g/mL at 25 °C(lit.); 0.92 g/ml
• Refractive Index: 1.4980; n20/D 1.498; n20/D 1.498(lit.)

Safety Information

• Storage Condition: 2-8°C; Room Temperature (15-30°C)
• Storage Warning: Flammable/Toxic/Harmful/Irritant/Store under Argon/Keep Cold
• RTECS: UU0970000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1992; 1993; UN1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 10-20/21/22-36/37/38; 10-21/22-36/37/38; R:10-22
• Safety Statements: 26-36/37; S:9-16-29-36/37/39; S:9-16-36/37/39
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302 + H332-H311-H315-H319-H335; H226-H302-H312-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P312
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); ≥99.0% (GC); 99%
• Grade: puriss. p.a.; purum; ReagentPlus®
• Evaporation Residue: ≤0.1%
• Impurities: ≤0.1% water
• Cation Traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Empirical Formula (Hill Notation): C8H11N

DETAILS

MP Biomedicals - 02150707

Refractionated
Reagent for DNA synthesis
1 ml = approx. 0.91 g

MP Biomedicals - 02190173

Note: For use in tissue fixation for electron microscopy
1 ml=approx. 0.91 g

Sigma Aldrich - 27692

Application
Tissue fixative for electron microscopy.

Sigma Aldrich - 142387

Application
Tissue fixative for electron microscopy.
Useful solvent for the cleavage of hindered esters by anhydrous lithium iodide.
General description
Hindered base.
Packaging
1 L in glass bottle
5, 100, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 27690

Application
Tissue fixative for electron microscopy.

REFERENCES

• Bennett, H.S. and Luft, J.H., J. Biophys. Biochem. Cytol. , 6 : 113 (1959).
• Hindered base. For use in the dehydrochlorination of ɑ-chloroketones to enones, see: Org. Synth. Coll., 4, 162 (1963). For use in combination with Trifluoromethanesulfonic anhydride, A11767 for the generation of ketenimines from olefins, see N,N-Dimethylacetamide, A10924.
• Superior base for peptide coupling reactions, causing less racemization than the more commonly used N-ethyldiisopropylamine or N-methylmorpholine: J. Org. Chem., 59,695 (1994). For comparison with other hindered bases, see: J. Org. Chem., 61, 2460 (1996). For peptide reagents, see Appendix 6.
• Solvent for various O-alkyl cleavage reaction by LiI, including hindered esters: J. Org. Chem., 28, 2184 (1963), and methyl ethers of phenols: Chem. Commun., 616 (1969).