化工社化工社 化学情報印刷レポート · 研究参考用
1-フルオロ-2-ニトロ-4-クロロベンゼン
4-クロロ-1-フルオロ-2-ニトロベンゼン · 1-ニトロ-2-フルオロ-5-クロロベンゼン · 1-フルオロ-2-ニトロ-4-クロロベンゼン · 1‐フルオロ‐2‐ニトロ‐4‐クロロベンゼン · 5-クロロ-2-フルオロニトロベンゼン · 5‐クロロ‐2‐フルオロニトロベンゼン · 4-CHLORO-1-FLUORO-2-NITRO-BENZENE · 5-Chloro-2-fluoronit
識別子と物理属性
| CAS No. | 345-18-6 |
|---|---|
| 分子式 | C6H3ClFNO2 |
| 平均分子量 | 175.54 g/mol |
| 単同位体質量 | 174.9836342 g/mol |
| SMILES | O=[N+]([O-])c1cc(Cl)ccc1F |
| InChIKey | DIAWBHLTWNWYGR-UHFFFAOYSA-N |
| PubChem CID | 67660 |
| EC No. | 206-457-4 |
| DTXSID | DTXSID20188056 |
| 現地名 | 1-フルオロ-2-ニトロ-4-クロロベンゼン |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 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 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 161 |
| 融点 | 8.3 °C |
| 沸点 | 236 °C |
| 密度 | 1.49g/ml |
| 屈折率 | 1.5490-1.5530 |
| 引火点 | 97 °C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | clear liquid |
| 色 | Light yellow to Yellow to Orange |
| 比重 | 1.48 |
| CAS データベース | 345-18-6(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Corr. 1B (33.3%)Skin Irrit. 2 (66.7%)Eye Irrit. 2 (66.7%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 3261 8 / PGII |
| 税関コード | 2904990090 |
| 危険文句（R） | 20/21/22-36/37/38-34 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi,C |
| hazard_note | Irritant |
| 安全措置（S） | 36/37/39-45 |
用途
使用
5-Chloro-2-fluoronitrobenzene is an organic synthetic reagent or pharmaceutical intermediate component. It can be used in the synthesis of aniline intermediates of ureidoolefins, and the amino and hydroxyl groups at the 4-position of these aniline intermediates are useful in the further preparation of macrocyclic urea kinase inhibitors.