2,6-ジフェニルピリジン

2,6-Diphenylpyridine

HCID 72920CAS 3558-69-8

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(-c2cccc(-c3ccccc3)n2)cc1
InChIKey: PJUOHDQXFNPPRF-UHFFFAOYSA-N
分子式: C17H13N
平均分子量: 231.29 g/mol
単同位体質量: 231.10479942

名称と識別子

優先名称: 2,6-Diphenylpyridine
IUPAC: 2,6-diphenylpyridine
現地名: 2,6-ジフェニルピリジン
英語名: 2,6-Diphenylpyridine
分子式: C17H13N
分子量: 231.29

名称と別名

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

名称をさらに表示

2,6-ジフェニルピリジン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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.8
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 214

実験および物理化学的性質

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]

物理化学的性質

融点: 73 · 73-77 °C
沸点: 210 °C · 210°C 3mm
比重(密度): 1.1024 · 1.1024 (rough estimate)
屈折率: 1.5515 · 1.5515 (estimate)
闪点: 210 °C/3mm · 210°C/3mm
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 3.83 · 3.83±0.10(Predicted)
色: White to Light yellow to Light orange
水溶解度: 水に不溶。
BRN: 7516 · 7516
CAS データベース: 3558 · 3558-69-8(CAS DataBase Reference)

化学的性質

化学的特性white to almost white crystals or cryst. powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37-26

化学と産業

応用分野

用途有機合成原料。

使用2,6-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.