3-ビニルアニリン

3-Aminostyrene

HCID 4260041

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 15411-43-5
標準SMILES: C=Cc1cccc(N)c1
InChIKey: IFSSSYDVRQSDSG-UHFFFAOYSA-N
分子式: C8H9N
平均分子量: 119.16 g/mol
単同位体質量: 119.07349929

名称と識別子

優先名称: 3-Aminostyrene
IUPAC: 3-ethenylaniline
現地名: 3-ビニルアニリン
英語名: 3-Vinylaniline
分子式: C8H9N
分子量: 119.16

名称と別名

3-AminostyreneRefChem:497811626-660-53-Vinylaniline15411-43-53-ethenylanilinem-AMINOSTYRENEBenzenamine, 3-ethenyl-MFCD000171053-vinyl-anilineErlotinib Impurity 41SCHEMBL250060

名称をさらに表示

3-ビニルアニリン3-アミノスチレン3-エテニルアニリン3-スチレンアミンm-アミノスチレン3-ビニルベンゼン-1-アミンSKL7323-Vinyl-phenylaMine3-Ethenyl-BenzenamineErlotinib Impurity 76Erlotinib Impurity 97

CS-W011211SY014136m-Vinylaniline (contains KOH as inhibitor)3-Vinylaniline, contains KOH as inhibitor, 97%meta amino vinyl benzene3-Amino styreneErlotinib Impurity 116FT-0692280

データベース識別子

CAS: 15411-43-5
PubChem CID: 4260041
DTXSID: DTXSID40401335
EC Number: 626-660-5
Nikkaji: J693.746B

物性

構造計算による物性

XLogP: 1.8
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: 98.7

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

沸点: 212.46 °C · 212.46°C (rough estimate)
比重(密度): 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.611(lit.)
闪点: 228 °F · 228 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 4.39 · 4.39±0.10(Predicted)
外見: 油
色: 無色透明
InChI: InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
InChIKey: IFSSSYDVRQSDSG-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(C=C)=C1

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 41 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2921420090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
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

説明3-vinylaniline (3-VA) is a significant compound of aniline having a vinyl group and can be used for the production of fine chemicals, functionalized polymers, pigment and pharmaceuticals. Generally, 3-VA is produced by the selective hydrogenation reaction of 3-nitrostyrene (3-NS).

使用The formation of m-Vinylaniline from the reduction of m-Nitrostyrene containing an easily reducible vinyl-group using hydrazine hydrate as the reducing agent.