4-ニトロスチレン
4-ニトロスチレン · 1-ビニル-4-ニトロベンゼン · (4-ニトロフェニル)エテン · 1-ニトロ-4-ビニルベンゼン · p-ニトロスチレン · 1-エテニル-4-ニトロベンゼン · 4-エテニル-1-ニトロベンゼン · 1-(p-ニトロフェニル)エテン
識別子と物理属性
| CAS No. | 100-13-0 |
|---|---|
| 分子式 | C8H7NO2 |
| 平均分子量 | 149.15 g/mol |
| 単同位体質量 | 149.04767846 g/mol |
| SMILES | C=Cc1ccc([N+](=O)[O-])cc1 |
| InChIKey | YFZHODLXYNDBSM-UHFFFAOYSA-N |
| PubChem CID | 7481 |
| ChEMBL | CHEMBL164351 |
| EC No. | 677-496-6 |
| DTXSID | DTXSID70142845 |
| 現地名 | 4-ニトロスチレン |
化学・物理的性質
| XLogP | 2.8 |
|---|---|
| 極性表面積 | 45.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 154 |
| 融点 | 20°C |
| 沸点 | 120°C 10mm |
| 密度 | 1.163 |
| 屈折率 | 1.6045 |
| 引火点 | 109°C |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| 溶解度 | soluble in Ether,Methanol,Chloroform,Ethanol水に不溶。 |
| 外観・状態 | powder to lump |
| 色 | Light yellow to Yellow |
| InChI | InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2 |
| InChIKey | YFZHODLXYNDBSM-UHFFFAOYSA-N |
| SMILES | C1(C=C)=CC=C([N+]([O-])=O)C=C1 |
| CAS データベース | 100-13-0(CAS DataBase Reference) |
化学的特性
Yellow to brown low melting solid
安全性と法規制
| GHS 分類 | WarningH302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (71.4%) |
| RTECS 番号 | WL5470000 |
| 税関コード | 29042090 |
| 危険文句（R） | 20/21/22-36/37/38 |
| 安全措置（S） | 26-36/37/39 |
| 危険等級 | IRRITANT |
用途
使用
Can be used to introduce amino groups into polymers. The thermal degradation of styrene-4-nitrostyrene copolymers (SNS) has been studied using differential thermal analysis (DTA) and thermogravimetry (TGA) under isothermal and dynamic conditions in dynamic nitrogen. 4Nitrostyrene gives isomeric (4-nitropheny1)-propiona1dehydes in a 96% yield.
製法・合成法
純化方法
Crystallise it from CHCl3/hexane. Purify it by addition of MeOH to precipitate the polymer, then crystallise it at -40o from MeOH. It has also been crystallised from EtOH. [Bernasconi et al. J Am Chem Soc 108 4541 1986, Beilstein 5 H 478, 5 III 1180, 5 IV 1351.]