4-n-オクチルアニリン

4-Octylaniline

HCID 85346CAS 16245-79-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCc1ccc(N)cc1
InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
分子式: C14H23N
平均分子量: 205.34 g/mol
単同位体質量: 205.18304974

名称と識別子

優先名称: 4-Octylaniline
IUPAC: 4-octylaniline
現地名: 4-n-オクチルアニリン
英語名: 4-n-Octylaniline
分子式: C14H23N
分子量: 205.34

名称と別名

4-Octylaniline4-n-Octylaniline16245-79-7p-OctylanilineBenzenamine, 4-octyl-4-Octylphenylamine4-octylbenzenaminep-n-octylanilineO9FN212WZZEINECS 240-358-7ANILINE, P-OCTYL-DTXSID6022266

名称をさらに表示

4-n-オクチルアニリン4-オクチルフェニルアミン4-オクチルアニリンp-オクチルアニリン4-オクチルベンゼンアミン４オクチルベンゼンアミン4-octyl-Octylaniline4-n-Octylaniline>TIMTEC-BB SBB008315

RefChem:526074DTXCID802266240-358-74-octyl anilineMFCD00007929SCHEMBL111952AKOS015839936SB78179

データベース識別子

CAS: 16245-79-7
PubChem CID: 85346
DTXSID: DTXSID6022266
UNII: O9FN212WZZ
EC Number: 240-358-7
Nikkaji: J46.001J

物性

構造計算による物性

XLogP: 5
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 7
重原子数: 15
形式電荷: 0
複雑度: 136

物理化学的性質

融点: 17 °C · 17°C
沸点: 175 °C/13 · 175 °C/13 mmHg (lit.)
比重(密度): 0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.516(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to lump to clear liquid
酸解離定数(Pka): 4.96 · 4.96±0.10(Predicted)
色: White or Colorles to Yellow to Orange
水溶解度: 水に不溶。
InChI: InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(CCCCCCCC)C=C1
CAS データベース: 16245 · 16245-79-7(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-Octylaniline (16245-79-7)

化学的性質

化学的特性Orange liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (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

Hazard Classes and CategoriesAcute Tox. 4 (11.4%)

安全データ

wgk: 3
ridadr: UN 3082 9 / PGIII
hs_code: 29214990
risk_code: 36/37/38
化審法: (3)-206
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用4-Octylaniline can be been used as an extractant during the extraction of microgram level concentrations of ruthenium(IV) from halide medium. It can also been used in the synthesis of selective benzimidazole based analogs of sphingosine-1-phosphate.

一般的な説明Micrometer-sized oil droplet of 4-octylaniline containing 5 mol% of an amphiphilic catalyst exhibits a self-propelled motion, producing tiny oil droplets. Kinetics of proton transfer facilitated by 4-octylaniline across the water/1,2-dichloroethane interface has been investigated by cyclic voltammetry and ac impedance.