化工社化工社 化学情報印刷レポート · 研究参考用
3-クロロ-4-フルオロアニリン
3-クロロ-4-フルオロアニリン · 4-フルオロ-3-クロロアニリン · 3-クロロ-4-フルオロベンゼンアミン · 3クロロ4フルオロアニリン · 3‐クロロ‐4‐フルオロアニリン · 3-CHLORO-4-FLUORO-PHENYLAMINE · 3-CHLORO-4-FLUOROBENZENAMINE · Fluorochloroaniline
識別子と物理属性
| CAS No. | 367-21-5 |
|---|---|
| 分子式 | C6H5ClFN |
| 平均分子量 | 145.56 g/mol |
| 単同位体質量 | 145.009455 g/mol |
| SMILES | Nc1ccc(F)c(Cl)c1 |
| InChIKey | YSEMCVGMNUUNRK-UHFFFAOYSA-N |
| PubChem CID | 9708 |
| EC No. | 206-682-8 |
| DTXSID | DTXSID0038754 |
| 現地名 | 3-クロロ-4-フルオロアニリン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 26 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 99 |
| 融点 | 42-44 °C (lit.) |
| 沸点 | 227-228 °C (lit.) |
| 密度 | 1,226 g/cm3 |
| 蒸気圧 | 0.01 hPa (20 °C) |
| 屈折率 | 1,54-1,542 |
| 引火点 | >230 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 10g/リットル10 G/L (20℃) |
| pKa（酸解離定数） | 3.60±0.10(Predicted) |
| 外観・状態 | 結晶性固体 |
| 色 | ベージュからブラウン |
| pH | 7 (10g/l, H2O, 20℃) |
| BRN | 1562786 |
| 安定性 | 安定。強力な酸化剤、酸、酸塩化物、酸無水物、クロロホルメートとは相容れない。空気に敏感な場合があります。 |
| InChI | 1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 |
| InChIKey | YSEMCVGMNUUNRK-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)c(Cl)c1 |
| CAS データベース | 367-21-5(CAS DataBase Reference) |
| EPAの化学物質情報 | 3-Chloro-4-fluoroaniline (367-21-5) |
化学的特性
dark purple to black solid
安全性と法規制
| GHS 分類 | DangerH301 (55.7%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (43%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (60.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]H318 (36.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H331 (55.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H373 (60.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 10 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. |
|---|---|
| 規制情報 | Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/246333-Chloro-4-fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (55.7%)Acute Tox. 4 (43%)Acute Tox. 3 (60.8%)Eye Dam. 1 (36.7%)STOT RE 2 (60.8%) |
| F | 9-23 |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 2811 6.1/PG 2 |
| 毒性 | LD50 orally in Rabbit: 506 mg/kg |
| 税関コード | 29214210 |
| 危険文句（R） | 23/24/25-33-36/37/38-20/21/22 |
| 化審法 | (3)-3998 |
| 危険表示 | T,Xi,Xn |
| hazard_note | Irritant/Toxic |
| 安全措置（S） | 36/37/39-45-26 |
| 危険等級 | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 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 |
用途
用途
有機合成原料。
一般的な説明
The exposure of workers to 3-chloro-4-fluoroaniline (CFA) was monitored by an HPLC method.