2-Benzoylpyridine (HCID 7038)

名称と識別子

優先名称: 2-Benzoylpyridine
IUPAC: phenyl(pyridin-2-yl)methanone
現地名: 2-ベンゾイルピリジン
英語名: 2-Benzoylpyridine
分子式: C12H9NO
分子量: 183.21

名称と別名

2-Benzoylpyridine91-02-1Methanone, phenyl-2-pyridinyl-2-Pyridyl phenyl ketoneIZ1TTI0X5ONSC-20887DTXSID7059016BzPyRefChem:465609DTXCID1048708202-034-3phenyl(pyridin-2-yl)methanone

名称をさらに表示

2-ベンゾイルピリジンフェニル2-ピリジルケトン2-ピリジルフェニルケトン1-(2-ピリジニルカルボニル)ベンゼン(2-ピリジル)(フェニル)ケトン(2-ピリジル)フェニルケトンフェニル(2-ピリジル)ケトン(2-ピリジニル)フェニルケトンフェニル(2-ピリジニル)ケトン2‐ベンゾイルピリジン(2-ピリジル)フェニルメタノン2-ピリジル(フェニル)ケトンフェニル(2-ピリジル)メタノン2-BenzoyLAKOS 94378AKOS B0224442-benzoyl-pyridinDoxylamine Impurity

Phenyl 2-pyridyl ketonePyridine, 2-benzoyl-MFCD00006300Methanone, phenylpyridinyl-KETONE, PHENYL 2-PYRIDYLDoxylamine EP Impurity Dphenyl(2-pyridyl)methanonebenzoylpyridine

データベース識別子

CAS: 91-02-1
PubChem CID: 7038
DTXSID: DTXSID7059016
ChEMBL: CHEMBL1328115
UNII: IZ1TTI0X5O
EC Number: 202-034-3
Nikkaji: J41.577D

物性

構造計算による物性

XLogP: 1.9
極性表面積: 30 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 196

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP1.96

Vapor Pressure0.000367 [mmHg]

Physical DescriptionOff-white crystalline chunks; [Alfa Aesar MSDS]

物理化学的性質

融点: 41 · 41-43 °C (lit.)
沸点: 317 °C · 317 °C (lit.)
比重(密度): 1 · 1,556 g/cm3
屈折率: 1.588 · 1.5880 (estimate)
闪点: 302 °F · 302 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 2.9 · 2.90±0.10(Predicted)
外見: 結晶塊
色: 無色～微黄色
水溶解度: 不溶性
BRN: 120283 · 120283
InChI: 1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N
SMILES: O=C(c1ccccc1)c2ccccn2
LogP: 1.88 · 1.880
CAS データベース: 91 · 91-02-1(CAS DataBase Reference)
NISTの化学物質情報: -2 · Methanone, phenyl-2-pyridinyl-(91-02-1)
EPAの化学物質情報: -2 · Methanone, phenyl-2-pyridinyl- (91-02-1)

化学的性質

化学的特性COLOURLESS TO SLIGHTLY YELLOW CRYSTALLINE CHUNKS

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.

Warning

H315 (96%): Causes skin irritation [Warning Skin corrosion/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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26534

Methanone, phenyl-2-pyridinyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 475 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Benzophenone.

Hazard Classes and CategoriesSkin Irrit. 2 (96%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: OB6400000
hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationMethanone, phenyl-2-pyridinyl-: ACTIVE

応用分野

用途有機合成原料。

使用Organic synthesis.

調製方法 · 1 件

純化方法Dissolve 2-benzoylpyridine in Et2O, shake it with aqueous NaHCO3, H2O, dry it over MgSO4 and evaporate. The residue solidifies on cooling. The solid can be recrystallised from pet ether. Its hydrochloride crystallises from Me2CO, m 126-127o, and the 2,4-dinitrophenylhydrazone has m 193-195o. It distils at high vacuum. [Kinkerton & Thames J Organomet Chem 24 623 1970, Beilstein 21/8 V 566.]

上流・下流製品情報

上流原料

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

2-ベンゾイルピリジン

基本情報