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Your Location：Home>Product Center >> Pesticide API and intermediates >> 2,2-Dipyridyl
  • 2,2-Dipyridyl
Name:2,2-Dipyridyl
CAS No:366-18-7

PRODUCT DESCRIPTION

【Name】
2,2'-Dipyridyl
【Iupac name】
2-pyridin-2-ylpyridine
【CAS Registry number】
366-18-7
【Synonyms】
2,2-Dipyridyl (2,2-bipyridine)
BipyridineBIPYwhiteoffwhitextl
2,2-Dipyridyl 99.5+ % for analysis
2,2-Bipyridyl
2,2-Bipyridine
2,2-Dipyridine
【EINECS(EC#)】
206-674-4
【Molecular Formula】
C10H8N2 (Products with the same molecular formula)
【Molecular Weight】
156.19
【Inchi】
InChI=1/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
【InChIKey】
ROFVEXUMMXZLPA-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=NC(=C1)C2=CC=CC=N2
【MOL File】
366-18-7.mol

Chemical and Physical Properties

【Appearance】
white to off-white powder
【Density】
272
【Melting Point】
70-73℃
【Boiling Point】
273℃
【Refractive Index】
1.58
【Flash Point】
121 °C
【Water】
5.5 g/L 22℃
【Solubilities】
Slightly soluble (soluble in alcohol , ether, benzene, chloroform) AUTOIGNITIO
【Color/Form】
White crystals
Crystals from dilute alcohol
PRISMS FROM PETROLEUM ETHER
【Stability】
Stable. Incompatible with strong oxidizing agents, most common metals. May be light sensitive.
【HS Code】
29333999
【Storage temp】
Store at RT.
【Spectral properties】
MAX ABSORPTION (METHANOL): 235 NM (LOG E= 4.01); 280 NM (LOG E= 3.85)
IR: 8616 (Sadtler Research Laboratories IR Grating Collection)
UV: 3468 (Sadtler Research Laboratories Spectral Collection)
NMR: 3247 (Sadtler Research Laboratories Spectral Collection)
MASS: 78049 (NIST/EPA/MSDC Mass Spectral Database 1990 Version); 113 (Aldermaston, Eight Peak Index of Mass Spectra, UK)
【Computed Properties】
Molecular Weight:156.18392 [g/mol]
Molecular Formula:C10H8N2
XLogP3:1.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:156.068748
MonoIsotopic Mass:156.068748
Topological Polar Surface Area:25.8
Heavy Atom Count:12
Formal Charge:0
Complexity:120
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R25
【Safety Statements 】
S36/37;S45
【HazardClass】
6.1
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?ToxicT?IrritantXi?
Risk Statements: 25-36/37/38-20/21-23/24/25
R25 : Toxic if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R20/21: Harmful by inhalation and in contact with skin.?
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. 
Safety Statements: 36/37-45-36/37/39-26
S36/37: Wear suitable protective clothing and gloves.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: DW1750000
F: 8 
Hazard Note: Irritant 
HazardClass: 6.1 
PackingGroup: III 
HS Code: 29333999

【PackingGroup 】
III
【Skin, Eye, and Respiratory Irritations】
Pyridine and its derivatives cause local irritation on contact with the skin, mucous membranes and cornea. /Pyridine and its derivatives/
【Transport】
UN 1663/2811
【Formulations/Preparations】
GRADE: REAGENT.
【Other Preventative Measures】
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
Pyridine and its derivatives cause local irritation on contact with the skin, mucous membranes and cornea. /Pyridine and its derivatives/
【Specification】

2,2'-Bipyridine (CAS NO.366-18-7) is a white crystalline powder.?Product Categories about it are?Pyridine ; Pyridines derivates ; Analytical Chemistry ; Bipyridyls, etc. (Chelating Reagents) ; Chelating Reagents ; Aromatics ; Metalloprotease inhibitorProtease Inhibitors ; Metalloproteinase InhibitorsEnzyme Inhibitors ; Broad Spectrum Inhibitors of Proteolytic Enzyme Classes ; Enzyme Inhibitors by Enzyme ; L to ; Protease Inhibitors ; C9 to C46Derivatization Reagents TLC ; TLC Reagents, D-FDerivatization Reagents TLC ; Heterocyclic Building Blocks ; Pyridines ; Vitamins ; Metal IonsTitration ; TLC Reagents, A-CSpectroscopy ; Derivatization Reagents TLC ; Indicators ; Redox IndicatorsDerivatization Reagents TLC ; TLC Visualization Reagents (alphabetic sort) ; TLC Visualization Reagents (by application) ; UV/Vis Reagents ; UV/Visible (UV/VIS) Spectroscopy ; A-BAlphabetic ; Alpha sort ; B ; BI - BZ ; Pesticides&Metabolites.

【Octanol/Water Partition Coefficient】
log Kow= 1.50
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Dehydrogenation of pyridine with nickel or other metal catalysts gives 2,2'-bipyridyl.
Raney nickel reduction /of pyridine/ gives 2,2'-bipyridine.
【Usage】

As a reagent for the determination of iron.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
- Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
【Biomedical Effects and Toxicity】
PYRIDINE & ITS ALKYL DERIVATIVES ARE ABSORBED FROM GI TRACT, INTRAPERITONEAL CAVITY & LUNGS. PERITONEAL ABSORPTION IS APPARENTLY ONLY SLIGHTLY MORE RAPID & COMPLETE THAN GI ABSORPTION ... IN GENERAL THE BASES ARE RAPIDLY ABSORBED THROUGH INTACT SKIN. /ALKYL DERIVATIVES OF PYRIDINE/

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 160(SRC), determined from a log Kow of 1.5(2) and a regression-derived equation(3), indicates that 2,2'-bipyridine is expected to have moderate mobility in soil(SRC). Volatilization of 2,2'-bipyridine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.4X10-10 atm-cu m/mole(4). 2,2'-Bipyridine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.3X10-5 mm Hg(SRC), derived from a water solubility, 5.9X10+3 mg/l(5), and its estimated Henry's Law constant(4).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 160(SRC), determined from a log Kow of 1.5(2) and a regression-derived equation(3), indicates that 2,2'-bipyridine is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 5.4X10-10 atm-cu m/mole(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 2,2'-Bipyridine was shown to undergo slow oxidation with photochemically generated hydroxyl radicals in aqueous solution (half-life of about 129 days)(7).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,2'-bipyridine, which has an estimated vapor pressure of 1.3X10-5 mm Hg at 25 deg C(SRC), derived from a water solubility, 5.9X10+3 mg/l(2), and an estimated Henry's Law constant, 5.3X10-10 atm-cu m/mole(3), will exist in both the vapor and particulate phases in the ambient atmosphere(SRC). Vapor-phase 2,2'-bipyridine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 12.5 days(SRC), calculated from its rate constant of 1.3X10-12 cu cm/molecule-sec at 25 deg C(SRC) that was derived using a structure estimation method(4). Particulate-phase 2,2'-bipyridine may be removed from the air by wet and dry deposition(SRC).

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