3-Phenylpyridine (HCID 13886)

名称と識別子

優先名称: 3-Phenylpyridine
IUPAC: 3-phenylpyridine
現地名: 3-フェニルピリジン
英語名: 3-Phenylpyridine
分子式: C11H9N
分子量: 155.2

名称と別名

3-PHENYLPYRIDINE1008-88-4Pyridine, 3-phenyl-EDZ6KB7JVCDTXSID0061404RefChem:95356DTXCID7032559213-762-63-Phenyl-pyridinem-PhenylpyridineMFCD000063805-phenylpyridine

名称をさらに表示

3-フェニルピリジン3-ピリジルベンゼンPhenylpyridine3-Azabiphenyl3-Phenylpridine3-pyridylbenzenePHENYLPYRIDINE(3-)3-Phenylpyridine>

3-PhenyIpyridineUNII-EDZ6KB7JVCss-Phenylpyridine3-phenyl pyridine3-(phenyl)pyridineEINECS 213-762-63-phenylpyridine, 333-Phenylpyridine, 97%

データベース識別子

CAS: 1008-88-4
PubChem CID: 13886
DTXSID: DTXSID0061404
ChEMBL: CHEMBL34657
UNII: EDZ6KB7JVC
EC Number: 213-762-6
Nikkaji: J45.969K

物性

構造計算による物性

XLogP: 2.5
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: 1
重原子数: 12
形式電荷: 0
複雑度: 127

実験および物理化学的性質

Kovats Retention Index · 3 件

1423；1420；1426；1442

1470；1469；1465.4；1459.1；249；249.84；250.03

2293；2243；2200；2243；2247；2207；2216

物理化学的性質

融点: 164 °C · 164°C
沸点: 269 · 269-270 °C/749 mmHg (lit.)
比重(密度): 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.616(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム、ジクロロメタン、酢酸エチルに可溶。
酸解離定数(Pka): 4.85 · 4.85±0.10(Predicted)
外見: 油
色: 無色透明
比重: 1.082 · 1.082
水溶解度: 0.46 g/L · 0.46g/L
BRN: 110400 · 110400
InChI: 1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2cccnc2
CAS データベース: 1008 · 1008-88-4(CAS DataBase Reference)
NISTの化学物質情報: 3 · Pyridine, 3-phenyl-(1008-88-4)
EPAの化学物質情報: 3 · 3-Phenylpyridine (1008-88-4)

化学的性質

化学的特性Colourless Oil

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Regulatory InformationChemical: Pyridine, 3-phenyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

法規制情報

Regulatory InformationChemical: Pyridine, 3-phenyl-

安全データ

F: 10
wgk: 3
tsca: TSCA listed
hs_code: 2933 39 99
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationPyridine, 3-phenyl-: INACTIVE

応用分野 · 2 件

使用3-Phenylpyridine can be a useful synthetic intermediate.

一般的な説明3-Phenylpyridine forms complexes with gold(III), palladium(II) and platinum(II) chloride and their 1H, 13C and 15N nuclear magnetic resonance studies have been reported. Interactions of 3-phenylpyridine with copper surface has been investigated by Surface-enhanced Raman scattering (SERS) spectroscopy and cyclic voltammetry. It is a useful synthetic intermediate.