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108-75-8 molecular structure
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2,4,6-trimethylpyridine

ChemBase ID: 89274
Molecular Formular: C8H11N
Molecular Mass: 121.17964
Monoisotopic Mass: 121.08914936
SMILES and InChIs

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

Cite this record

CBID:89274 http://www.chembase.cn/molecule-89274.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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-Trimethylpyridine
sym-Collidine
2,4,6-COLLIDINE
2,4,6-Trimethylpyridine
2,4,6-Collidine
2,4,6-三甲基氮杂苯
可力丁
2,4,6-三甲基吡啶
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

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.0325026  LogD (pH = 7.4) 1.2789286 
Log P 1.5317351  Molar Refractivity 38.1253 cm3
Polarizability 14.741129 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-43 °C(lit.) expand Show data source
-43°C expand Show data source
-43°C expand Show data source
Boiling Point
170-172°C expand Show data source
171-172 °C(lit.) expand Show data source
171-172°C expand Show data source
171-172°C expand Show data source
Flash Point
131 °F expand Show data source
53°C expand Show data source
54°C(129°F) expand Show data source
55 °C expand Show data source
55°C expand Show data source
Density
0.914 g/mL at 20 °C expand Show data source
0.916 expand Show data source
0.917 expand Show data source
0.917 g/mL at 25 °C(lit.) expand Show data source
0.92 g/ml expand Show data source
Refractive Index
1.4980 expand Show data source
n20/D 1.498 expand Show data source
n20/D 1.498(lit.) expand Show data source
Storage Condition
2-8°C expand Show data source
Room Temperature (15-30°C) expand Show data source
Storage Warning
Flammable/Toxic/Harmful/Irritant/Store under Argon/Keep Cold expand Show data source
RTECS
UU0970000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1992 expand Show data source
1993 expand Show data source
UN1992 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
3Y expand Show data source
Risk Statements
10-20/21/22-36/37/38 expand Show data source
10-21/22-36/37/38 expand Show data source
R:10-22 expand Show data source
Safety Statements
26-36/37 expand Show data source
S:9-16-29-36/37/39 expand Show data source
S:9-16-36/37/39 expand Show data source
EU Classification
F1 expand Show data source
EU Hazard Identification Number
3B expand Show data source
Emergency Response Guidebook(ERG) Number
128 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302 + H332-H311-H315-H319-H335 expand Show data source
H226-H302-H312-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338-P312 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1992 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥99.0% (GC) expand Show data source
99% expand Show data source
Grade
puriss. p.a. expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Evaporation Residue
≤0.1% expand Show data source
Impurities
≤0.1% water expand Show data source
Cation Traces
Al: ≤0.5 mg/kg expand Show data source
Ba: ≤0.1 mg/kg expand Show data source
Bi: ≤0.1 mg/kg expand Show data source
Ca: ≤0.5 mg/kg expand Show data source
Cd: ≤0.05 mg/kg expand Show data source
Co: ≤0.02 mg/kg expand Show data source
Cr: ≤0.02 mg/kg expand Show data source
Cu: ≤0.02 mg/kg expand Show data source
Fe: ≤0.1 mg/kg expand Show data source
K: ≤0.5 mg/kg expand Show data source
Li: ≤0.1 mg/kg expand Show data source
Mg: ≤0.1 mg/kg expand Show data source
Mn: ≤0.02 mg/kg expand Show data source
Mo: ≤0.1 mg/kg expand Show data source
Na: ≤0.5 mg/kg expand Show data source
Ni: ≤0.02 mg/kg expand Show data source
Pb: ≤0.1 mg/kg expand Show data source
Sr: ≤0.1 mg/kg expand Show data source
Zn: ≤0.1 mg/kg expand Show data source
Empirical Formula (Hill Notation)
C8H11N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150707 external link
Refractionated
Reagent for DNA synthesis
1 ml = approx. 0.91 g
MP Biomedicals - 02190173 external link
Note: For use in tissue fixation for electron microscopy
1 ml=approx. 0.91 g
Sigma Aldrich - 27692 external link
Application
Tissue fixative for electron microscopy.
Sigma Aldrich - 27690 external link
Application
Tissue fixative for electron microscopy.
Sigma Aldrich - 142387 external link
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

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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).
  • • Bennett, H.S. and Luft, J.H., J. Biophys. Biochem. Cytol. , 6 : 113 (1959).
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PATENTS

PATENTS

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INTERNET

INTERNET

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