2-tert-Butylaniline (HCID 80574)

名称と識別子

優先名称: 2-tert-Butylaniline
IUPAC: 2-tert-butylaniline
現地名: 2-tert-ブチルアニリン
英語名: 2-tert-Butylaniline
分子式: C10H15N
分子量: 149.23

名称と別名

2-tert-Butylaniline6310-21-0Benzenamine, 2-(1,1-dimethylethyl)-Aniline, 2-tert-butyl-2-(1,1-DIMETHYLETHYL)BENZENAMINEEINECS 228-634-53F46C9L299DTXSID50212439NSC-430442-(1,1-dimethylethyl)anilineNSC 43044RefChem:89414

名称をさらに表示

2-(1,1-ジメチルエチル)ベンゼンアミン2-tert-ブチルベンゼンアミン2-tert-ブチルアニリン2-tert-ButylbenzenamineAKOS BBS-000035722-tert-Butylaniline 98%2-tert-Butylaniline,99%2-tert-Butylaniline, 98%,

DTXCID00134930228-634-5AEIOZWYBDBVCGW-UHFFFAOYSA-N2-(tert-Butyl)anilineMFCD001300232-tert-Butylphenylamine2-t-Butylaniline2-tert-butyl aniline

データベース識別子

CAS: 6310-21-0
PubChem CID: 80574
DTXSID: DTXSID50212439
UNII: 3F46C9L299
EC Number: 228-634-5
Nikkaji: J206.897D

物性

構造計算による物性

XLogP: 3
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: 11
形式電荷: 0
複雑度: 123

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionBrown liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -60 °C · -60 °C (lit.)
沸点: 123 · 123-124 °C/17 mmHg (lit.)
比重(密度): 0.957 g/mL · 0.957 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.545(lit.)
闪点: 216 °F · 216 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 液体
酸解離定数(Pka): 3.78 · 3.78±0.10(Predicted)
色: 澄んだ淡黄色～赤褐色
InChI: InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
InChIKey: AEIOZWYBDBVCGW-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC=C1C(C)(C)C
CAS データベース: 6310 · 6310-21-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-(1,1-dimethylethyl)-(6310-21-0)

化学的性質

化学的特性clear pale yellow to red-brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

wgk: 3
hs_code: 29214990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
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

応用分野 · 2 件

使用2-tert-Butylaniline may be used in the preparation of 2,3-bis(2-tert-butyl-phenyl-imino)butane. It may be used in the preparation of two rotamers, anti- and syn-N,N′-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides and their guest inclusion abilities were investigated.

一般的な説明2-tert-Butylaniline is a sterically hindered aniline. 2-tert-Butylaniline participates in chemo- and regioselective copper-catalyzed cross-coupling reaction for the effective amination of 2-chlorobenzoic acids.

上流・下流製品情報

上流原料

Diazene, bis[2-(1,1-dimethylethyl)phenyl]- (9CI)2,4-dinitro-1-tert-butyl-benzene 3-nitro-4-tert-butylaniline 4-(TERT-ブチル)-3-ニトロアニリン塩酸塩 1-tert-ブチル-2-ニトロベンゼン 1-ナフトニトリル 2-tert-ブチルフェノール 1-ナフトアルデヒド tert-ブチルメチルエーテルアニリン

下流製品

(2-tert-butylphenyl)methanol 2-tert-Butyl-5-nitro-phenylamine Benzenamine, 2-(1,1-dimethylethyl)-N-(1-methylethyl)-4-bromo-2-tert-butyl-1-nitrobenzene

サプライヤー50 社

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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

2-tert-ブチルアニリン

基本情報