4-Ethylaniline (HCID 11504)

名称と識別子

優先名称: 4-Ethylaniline
IUPAC: 4-ethylaniline
現地名: 4-エチルアニリン
英語名: 4-Ethylaniline
分子式: C8H11N
分子量: 121.18

名称と別名

4-ETHYLANILINE589-16-2Benzenamine, 4-ethyl-Aniline, 4-ethyl-4-ethylbenzenamineMHX72W1ZQVDTXSID0022066NSC-62015RefChem:522843DTXCID402066209-637-0p-Ethylaniline

名称をさらに表示

4-エチルアニリン4-エチル-1-ベンゼンアミンp-エチルアニリン4-エチルベンゼンアミンp-アミノエチルベンゼンP‐エチルアニリン4-ethyl-anilinaniline,4-ethyl-To ethyl anilinepara-EthylanilineAKOS BBS-00003560

4-Ethylphenylamine1-Amino-4-ethylbenzeneAniline, p-ethyl-p-Ethylaminobenzene4-Aminoethylbenzene4-ethyl anilineMFCD00007921NSC 62015

データベース識別子

CAS: 589-16-2
PubChem CID: 11504
DTXSID: DTXSID0022066
UNII: MHX72W1ZQV
EC Number: 209-637-0
Nikkaji: J44.132E

物性

構造計算による物性

XLogP: 2
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: 1
重原子数: 9
形式電荷: 0
複雑度: 72.6

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: -5 °C · -5 °C (lit.)
沸点: 216 °C · 216 °C (lit.)
比重(密度): 0.975 g/mL · 0.975 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.554(lit.)
闪点: 185 °F · 185 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体
酸解離定数(Pka): 1 · pK1:5.00(+1) (25°C)
色: 澄んだ黄色から赤褐色
水溶解度: 混和しない
BRN: 774319 · 774319
Henry's Law Constant: 3.1 · 3.1×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
InChI: 1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
InChIKey: HRXZRAXKKNUKRF-UHFFFAOYSA-N
SMILES: CCc1ccc(N)cc1
CAS データベース: 589 · 589-16-2(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Ethylaniline(589-16-2)
EPAの化学物質情報: p-Ethylaniline (589-16-2)

化学的性質

化学的特性clear yellow to red-brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (38.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 7 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: Benzenamine, 4-ethyl-

Benzenamine, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: BX9900000
ridadr: 1602
hs_code: 29214980
risk_code: 23/24/25-33
化審法: (3)-206
消防法: 危-4-3-III
hazard_code: T
safety_code: 36/37/39-45-36/37-28A
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-ethyl-: ACTIVE

応用分野

使用4-Ethylaniline can be used as intermediates of liquid crystal.

調製方法 · 1 件

純化方法Dissolve p-ethylaniline in *benzene, then acetylate it. Recrystallise the acetyl derivative (m 93-94o, Hickinbottom & Waine J Chem Soc 1565 1930) from *C6H6/pet ether or EOH, and hydrolyse it by refluxing 50g with 500mL of H2O and 115mL of conc H2SO4 until the solution becomes clear. The amine sulfate is isolated, suspended in H2O and solid KOH is added to generate the free base, which separates. Dry it (KOH), and distil it from zinc dust in a vacuum [Berliner & Berliner J Am Chem Soc 76 6179 1954]. The picrate has m 171-172o (from 1,2-dichloroethane). [Beilstein 12 H 1090, 12 III 2380, 12 IV 2419.]

上流・下流製品情報

下流製品

4'-アミノアセトフェノンイソシアン酸4-エチルフェニル 4-エチルフェニルヒドラジン塩酸塩 4-chloro-N-(4-ethylphenyl)benzenesulfonamide N-(4-ethylphenyl)benzenesulfonamide 2-Chloro-4-ethyl-6-nitro-phenylamine 2,6-ジブロモ-4-エチルアニリン N-(4-ETHYLPHENYL)-2-(4-PHENYLPIPERAZINO)ACETAMIDE 6-(クロロメチル)-N-(4-エチルフェニル)-1,3,5-トリアジン-2,4-ジアミン 1-Azido-4-ethyl-benzene 3-クロロ-N-(4-エチルフェニル)プロパンアミド N-(4-ethylphenyl)-2-thiophenecarboxamide

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4-エチルアニリン

基本情報