化工社化工社 化学情報印刷レポート · 研究参考用
4-フルオロニトロベンゼン
4-フルオロニトロベンゼン · 4-フルオロ-1-ニトロベンゼン · p-フルオロニトロベンゼン · 1-ニトロ-4-フルオロベンゼン · p-フルオロ-1-ニトロベンゼン · p-ニトロフルオロベンゼン · 4-ニトロフェニルフルオリド · 1-フルオロ-4-ニトロベンゼン
識別子と物理属性
| CAS No. | 350-46-9 |
|---|---|
| 分子式 | C6H4FNO2 |
| 平均分子量 | 141.1 g/mol |
| 単同位体質量 | 141.02260659 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)cc1 |
| InChIKey | WFQDTOYDVUWQMS-UHFFFAOYSA-N |
| PubChem CID | 9590 |
| ChEMBL | CHEMBL163729 |
| EC No. | 206-502-8 |
| DTXSID | DTXSID9022025 |
| 現地名 | 4-フルオロニトロベンゼン |
化学・物理的性質
| XLogP | 1.8 |
|---|---|
| 極性表面積 | 45.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 126 |
| 物質分類 | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 密度 | 1.3300 @ 20 °C/4 °C1.33 g/mL at 25 °C (lit.) |
| Color/Form | YELLOW NEEDLES |
| 溶解度 | SOL IN ALCOHOL, ETHERINSOL IN WATERChloroform (Slightly), Methanol (Slightly)水に不溶。 |
| 沸点 | 206-207 °C205 °C (lit.) |
| 融点 | 27 °C21 °C (lit.) |
| 蒸気圧 | 0.29 [mmHg]5.5 mm Hg ( 70 °C) |
| 屈折率 | MAX ABSORPTION (ALCOHOL): 212 NM (LOG E= 4.0)263 NM (LOG E= 3.9)INDEX OF REFRACTION: 1.5316 @ 20 °C/Dn20/D 1.531(lit.) |
| Physical Description | Yellow solid[HSDB] Liquid or low melting solidmp = 22-24 deg C[MSDSonline] |
| Other Experimental Properties | UV: 9648 (Sadtler Research Laboratories Spectral Collection) /Benzene, 1-fluoro-3-nitro/ |
| 蒸気密度 | >1 (vs air) |
| 引火点 | 182 °F |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | 融解後の液体 |
| 比重 | 1.330 |
| 色 | 濃い緑がかった黄色 |
| BRN | 606923 |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| InChI | 1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H |
| InChIKey | WFQDTOYDVUWQMS-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(F)cc1 |
| LogP（分配係数） | 1.8 at 20℃ |
| CAS データベース | 350-46-9(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, 1-fluoro-4-nitro-(350-46-9) |
| EPAの化学物質情報 | p-Fluoronitrobenzene (350-46-9) |
化学的特性
yellow liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1% (1 of 102) of reports.DangerH302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 102 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Benzene, 1-fluoro-4-nitro-Status: Active Update: 13-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/72741-Fluoro-4-nitrobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Emergency treatment: Methemoglobinemia[HSDB] An irritant[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (88.2%) |
| 生態毒性値 | LC50 Pimephales promelas (fathead minnow) 28.4 mg/l 96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/l CaCO3, temp: 25 +/- 1 °C, pH 7.5, dissolved oxygen greater than 60% of saturation |
| 有害作用 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Toxicity Data | LC50 (rat) = 2,600 mg/m3/4h |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DA1400000 |
| 輸送番号（UN） | UN 2811 6.1/PG 3 |
| 税関コード | 29049085 |
| 危険文句（R） | 20/21/22-33 |
| 化審法 | (3)-441 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xn,T,Xi |
| hazard_note | Toxic/Irritant |
| 安全措置（S） | 36-36/37 |
| 危険等級 | 6.1Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralSTOT RE 2 |
| 包装等級 | III |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 有害物質データ | 350-46-9(Hazardous Substances Data) |
用途
用途
有機合成原料。
使用
1-Fluoro-4-nitrobenzene used as a component of hair dyes, as pharmaceutical intermediates. It is also used for the preparation of novel soluble aromatic polyimides
製法・合成法
純化方法
Crystallise it from EtOH. [Beilstein 5 H 241, 5 IV 719.]