2-(Phenylmethyl)pyridine (HCID 7581)

概要

an inducer of hepatic microsomal cytochrome P450

名称と識別子

優先名称: 2-(Phenylmethyl)pyridine
IUPAC: 2-benzylpyridine
現地名: 2-ベンジルピリジン
英語名: 2-Benzylpyridine
分子式: C12H11N
分子量: 169.22

名称と別名

2-BENZYLPYRIDINE101-82-6Pyridine, 2-(phenylmethyl)-2-(Phenylmethyl)pyridineEW2N4V60MQNSC-4033DTXSID5059240RefChem:85591DTXCID8032590202-979-1Pyridine, 2-benzyl-2-benzyl-pyridine

名称をさらに表示

2-ベンジルピリジン2ベンジルピリジン2-フェニルピリジルメタン2-ベンジルピリジン, 98+%2-ベンジルピリジCDD 3529NSC 2410722-benzyl-pyridinAKOS BBS-000043832-Benzylpyridine >2-Benzylpyridine, 98+%2-PHENYLPYRIDYLMETHANE

Pheniramine Maleate EP Impurity AMFCD00006352NSC 4033EINECS 202-979-1UNII-EW2N4V60MQbenzylpyridineBRN 0115875AI3-11559

データベース識別子

CAS: 101-82-6
PubChem CID: 7581
DTXSID: DTXSID5059240
ChEMBL: CHEMBL3248606
UNII: EW2N4V60MQ
EC Number: 202-979-1
Nikkaji: J36.122D

物性

構造計算による物性

XLogP: 2.8
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: 13
形式電荷: 0
複雑度: 138

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: 8 · 8-10 °C (lit.)
沸点: 276 °C · 276 °C (lit.)
比重(密度): 1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.579(lit.)
闪点: 257 °F · 257 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: liquid
酸解離定数(Pka): 5.13 · 5.13(at 25℃)
色: 黄色
水溶解度: 不溶性
BRN: 115875 · 115875
InChI: 1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
SMILES: C(c1ccccc1)c2ccccn2
LogP: 2.57 · 2.570 (est)
CAS データベース: 101 · 101-82-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pyridine, 2-(phenylmethyl)-(101-82-6)
EPAの化学物質情報: 2 · Pyridine, 2-(phenylmethyl)- (101-82-6)

化学的性質 · 1 件

化学的特性2-Benzylpyridine is a clear yellow to brown liquid or pale straw-colored oily liquid. Poorly soluble in water, soluble in alcohol and oils. Powerful green vegetable type odor with considerable resemblance to the odor of raw stringbeans (or “Haricots-verts”). The warm-herbaceous undertone is often accompanied by traces of a protein-like terminal note, possibly impurity-odor. Moderate tenacity.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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

Chemical: Pyridine, 2-(phenylmethyl)-

Pyridine, 2-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: US2620000
ridadr: 2810
毒性: LD50 scu-mus: 1500 mg/kg AEPPAE 227,129,55
hs_code: 29333999
risk_code: 36-36/37/38-22
化審法: (9)-1311
消防法: 危-4-3-III
hazard_code: Xi,Xn
safety_code: 26-37/39
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationPyridine, 2-(phenylmethyl)-: ACTIVE

応用分野

用途二酸化硫黄の検出、有機合成原料。

使用2-Benzylpyridine is a benzylpyridine with antifungal properties. 2-Benzylpyridine is also used as a chromogenic reagent for micro determination of Molybednum.