2-(pyridin-2-yl)pyridine

• ChemBase ID: 70809
• Molecular Formular: C10H8N2
• Molecular Mass: 156.18392
• Monoisotopic Mass: 156.06874827
• SMILES: c1(ccccn1)c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1ccccn1
• InChI: InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
• InChIKey: ROFVEXUMMXZLPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)pyridine
• IUPAC Traditional name: bipyridyl
• Synonyms: 2,2-Bispyridine; 2,2'-Bipyridine, ACS; 2,2'-Bipyridine; 2,2'-Dipyridyl; 2,2'-Bipyridine; 2,2'-Dipyridine; α,α'-DIPYRIDYL; Bipyridyl; Dipyridyl; Bipy; Bpy; Dipy; 2,2′-Bipyridine; 2,2′-Dipyridine; 2,2′-Dipyridyl; 2,2′-Bipyridyl; 2,2′-Bipyridyl; 2,2′-Dipyridyl; 2,2'-Bipyridyl; 2,2'-Bipyridine; 2,2′-二吡啶; 2,2′-二吡啶基; A,A′-联吡啶; 2,2′-联吡啶; 2,2′-联吡啶; 2,2′-二吡啶基; 2,2'-联吡啶

Database IDs

• CAS Number: 366-18-7
• EC Number: 206-674-4
• MDL Number: MFCD00006212
• Beilstein Number: 113089
• Merck Index: 143347
• PubChem SID: 162036519; 24893647; 24848666; 24862774
• PubChem CID: 1474
• CHEBI ID: 30351
• CHEMBL: 39879
• Chemspider ID: 13867714
• Unique Ingredient Identifier: 551W113ZEP
• Wikipedia Title: 2,2'-Bipyridine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9542185
• LogD (pH = 7.4): 1.956794
• Log P: 1.9568269
• Molar Refractivity: 46.1364 cm^3
• Polarizability: 19.578226 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: ~70 °C; 69-71 °C; 70°C; 70-73 °C; 70-73 °C(lit.); 70-73°C
• Boiling Point: 272-273°C; 272-273°C; 273 °C; 273 °C(lit.); 273°C
• Flash Point: 121°C(249°F)
• Vapor Pressure: 1.30 x 10-5 mm Hg at 25 °C.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Store under Argon
• RTECS: DW1750000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 21-25; 25; R:25
• Safety Statements: 36/37-45; S:28-29-36/37/39-45
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• Main Hazard: toxic
• GHS Hazard statements: H301 + H311; H301-H311
• GHS Precautionary statements: P280-P301 + P310-P312; P280-P301+P310-P361-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: human ... EPHX2(2053), FNTA(2339)mouse ... Ephx2(13850)

Product Information

• Purity: ≥98.0% (NT); ≥99%; ≥99.0%; ≥99.0% (NT); 95+%; 98%; 99.5%; 99+%
• Grade: JIS special grade; PESTANAL®, analytical standard; purum; ReagentPlus®; redox indicator
• Ignition Residue: ≤0.05%
• Quality: for spectrophotometric det. of Fe
• Empirical Formula (Hill Notation): C10H8N2

DETAILS

MP Biomedicals - 05208339

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101614

Crystalline
Purity: 99.5%
Reagent for iron determinations.

Sigma Aldrich - 14453

Biochem/physiol Actions
Metalloprotease inhibitor; high-affinity chelator of iron; may inhibit Fe2+ containing enzymes at 10-8 M.

Sigma Aldrich - 36759

Biochem/physiol Actions
Metalloprotease inhibitor; high-affinity chelator of iron; may inhibit Fe2+ containing enzymes at 10-8 M.
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 14454

Biochem/physiol Actions
Metalloprotease inhibitor; high-affinity chelator of iron; may inhibit Fe2+ containing enzymes at 10-8 M.
General description
Visit our Titration Center to learn more.
Quantity
λmax. 280 nm, mol. abs.: 13500

Sigma Aldrich - D216305

Biochem/physiol Actions
Metalloprotease inhibitor; high-affinity chelator of iron; may inhibit Fe2+ containing enzymes at 10-8 M.
Packaging
1 kg in poly bottle
25, 100, 500 g in poly bottle
2.5, 10 g in glass bottle
Application
Bidentate ligand1 employed in transition metal catalysis2 and aluminum initiated polymerization3 (inorganic syntheses).4
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 07-5990

Biochem/physiol Actions
Metalloprotease inhibitor; high-affinity chelator of iron; may inhibit Fe2+ containing enzymes at 10-8 M.

REFERENCES

• Reagent for iron. Chelating ligand.
• For use as an alternative to phosphines in Heck type reactions, see: Synlett, 871 (1992).
• Complex with Chromium(VI) oxide, 12522, has been used in a mild selective oxidation of alcohols to aldehydes and ketones: Acta Chem. Scand., 25, 1125 (1971).