CAS 14235-81-5 4-Ethynylaniline (HCID 3760025)

概要

4-ethynylaniline is a substituted aniline.

名称と識別子

優先名称: 4-Ethynylaniline
IUPAC: 4-ethynylaniline
現地名: 4-エチニルアニリン
英語名: 4-ETHYNYLANILINE
分子式: C8H7N
分子量: 117.15

名称と別名

4-Ethynylaniline14235-81-5Benzenamine, 4-ethynyl-p-aminophenylacetyleneDTXSID90396040RefChem:98931DTXCID00346899628-948-6JXYITCJMBRETQX-UHFFFAOYSA-N4-Aminophenylacetylenep-ethynylanilineMFCD00168824

名称をさらに表示

4-エチニルアニリン4-アミノフェニルアセチレンP-エチニルアニリン4-エチニルベンゼンアミン1-エチニル-4-アミノベンゼン1-(4-アミノフェニル)エチンP-APACp-Ethnylaniline4-Ethyylanilinen4-Ethynylaniline>4-ETHYNYLANILINE 97%4-ETHYNYLPHENYLAMINE4-Ethynylaniline ,98%

1-Amino-4-ethynylbenzene4-Ethynyl-benzenamineErlotinib Impurity 584-ethynyl aniline4-ethynylaniline-4-ethenylbenzenamine4-Ethynyl-phenylaminep-aminophenyl-acetylene

データベース識別子

CAS: 14235-81-5
PubChem CID: 3760025
DTXSID: DTXSID90396040
ChEBI: CHEBI:167803
EC Number: 628-948-6
Nikkaji: J607.821D

物性

構造計算による物性

XLogP: 1.3
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: 9
形式電荷: 0
複雑度: 123

物理化学的性質

融点: 98 · 98-102 °C (dec.) (lit.)
沸点: 99 · 99-101 °C(Press: 13 Torr)
比重(密度): 1.05 · 1.05±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 3.11 · 3.11±0.10(Predicted)
外見: 結晶性粉末
色: 黄色から茶色
BRN: 2205181 · 2205181
InChI: InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChIKey: JXYITCJMBRETQX-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C#C)C=C1
CAS データベース: 14235 · 14235-81-5(CAS DataBase Reference)

化学的性質

化学的特性White or light yellow solid

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 44 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 8-10-23
wgk: 3
hs_code: 29214990
risk_code: 36/37/38
安衛法: 変異原性物質
hazard_code: Xi
safety_code: 26-36-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用4-Ethynylaniline may be used in the synthesis of N-methyliminodiethyl 4-(4-ethynylphenyliminomethyl)benzeneboronate. It can also be used to prepare an acetylene ligand, HC2-NDI (NDI= 1,4,5,8-naphthalenediimide).

一般的な説明4-Ethynylaniline, also known as p-ethynylaniline, is a terminal alkyne. Its synthesis using 2-methyl-3-butyn-2-ol (MEBYNOL) has been reported. The transition metal catalyzed polymerization of 4-ethynylaniline to afford poly(4-ethynylaniline) has been reported. The impact of the surface functionalization with 4-ethynylaniline on the thermal behavior of multi-walled carbon nanotubes (MWNTs) and graphene has been investigated.