4-methyl-2-(4-methylpyridin-2-yl)pyridine

• ChemBase ID: 76942
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: n1c(cc(cc1)C)c1cc(ccn1)C
• Canonical SMILES: Cc1ccnc(c1)c1nccc(c1)C
• InChI: InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
• InChIKey: NBPGPQJFYXNFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(4-methylpyridin-2-yl)pyridine
• IUPAC Traditional name: 4-methyl-2-(4-methylpyridin-2-yl)pyridine
• Synonyms: 4,4'-Dimethyl-2,2'-dipyridyl; 4,4'-Dimethyl-2,2'-bipyridine; 2,2′-Bi(γ-picoline); 4,4′-Dimethyl-2,2′-bipyridine; 4,4′-Dimethyl-2,2′-dipyridyl; 4,4'-DIMETHYL-2,2'-BIPYRIDYL; 4,4'-Dimethyl-2,2'-bipyridine; U - Aldrin solution; 4,4'-二甲基-2,2'-联吡啶; 2,2′-二(γ-甲基吡啶); 4,4′-二甲基-2,2′-二吡啶; 4,4′-二甲基-2,2′-联吡啶; 艾氏剂 溶液

Database IDs

• CAS Number: 1134-35-6; 309-00-2
• EC Number: 214-483-2
• MDL Number: MFCD00006441
• Beilstein Number: 128995
• PubChem SID: 24854755; 162041841; 24880510; 24865061
• PubChem CID: 14338

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9682722
• LogD (pH = 7.4): 2.9834723
• Log P: 2.9836698
• Molar Refractivity: 56.2188 cm^3
• Polarizability: 23.103298 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169-174 °C(lit.); 169-174°C; 171-173 °C; 171-175°C

Safety Information

• Storage Warning: Irritant
• RTECS: DW1765000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0%; ≥99.0% (NT); 97%; 98%; 99%; 99.5%
• Grade: for spectrophotometric det.
• Purified By: sublimation
• Empirical Formula (Hill Notation): C12H12N2

DETAILS

MP Biomedicals - 05210073

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 245739

Application
Starting material for the synthesis of a blue luminescent molecule with emission at 450 nm and a quantum yield of 43%.1
Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 569593

Packaging
1, 5 g in glass bottle