CAS 3558-69-8 2,6-Diphenylpyridine (HCID 72920)

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Basic information

CAS: 3558-69-8
Standard SMILES: c1ccc(-c2cccc(-c3ccccc3)n2)cc1
InChIKey: PJUOHDQXFNPPRF-UHFFFAOYSA-N
Molecular formula: C17H13N
Average molar mass: 231.29 g/mol
Monoisotopic mass: 231.10479942

Names & identifiers

Preferred name: 2,6-Diphenylpyridine
IUPAC: 2,6-diphenylpyridine
English name: 2,6-Diphenylpyridine
Molecular formula: C17H13N
Molecular weight: 231.29

Names & synonyms

2,6-Diphenylpyridine3558-69-8Pyridine, 2,6-diphenyl-ZI75V15Y1TNSC-133378DTXSID7022209RefChem:833622,5DPhPy3,5DPhPy2,6-DPhPyDTXCID202209222-620-2

Show more names

DiphenylpyridineAbametapir Impurity 32,6-Diphenylpyridine>2,6-DIPHENYLPYRIDINE 97%2,6-Diphenylpyridine,97%2,6-DIPHENYLPYRIDINE 99+%

2,6-diphenyl-pyridineMFCD00006284EINECS 222-620-2UNII-ZI75V15Y1TNSC1333782,6-diphenyl pyridine2,6-Diphenyl-pyridinMaybridge3_000511

Database identifiers

CAS: 3558-69-8
PubChem CID: 72920
DTXSID: DTXSID7022209
ChEMBL: CHEMBL1330164
UNII: ZI75V15Y1T
EC Number: 222-620-2
Nikkaji: J149.747B

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 214

Experimental & physicochemical properties

Solubility<0.5 [ug/mL] (The mean of the results at pH 7.4)

Vapor Pressure0.00000132 [mmHg]

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 73 · 73-77 °C
Boiling point: 210 °C · 210°C 3mm
Density: 1.1024 · 1.1024 (rough estimate)
refractive index: 1.5515 · 1.5515 (estimate)
Flash point: 210 °C/3mm · 210°C/3mm
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 3.83 · 3.83±0.10(Predicted)
color: White to Light yellow to Light orange
Water Solubility: Insoluble in water.

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Safety data

hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi

Chemistry & industry

Applications

Uses2,6-Diphenylpyridine is used as a tridentate [CNC] dianionic ligand in organogold(III) chemistry, an intermediate. It readily adds an electron from alkali metals in THF to give a radical anion which is a powerful reducing agent.