化工社化工社 化学情報印刷レポート · 研究参考用
2,4-ジフルオロアニリン
2,4-ジフルオロアニリン · 2,4-ジフルオロベンゼンアミン · 4,6-ジフルオロフェニルアミン · ２，４ジフルオロアニリン · 2,4‐ジフルオロアニリン · 2,4-ジフルオロアニリン, 99% · Difluoroaniline · 4-Difluoroaniline
識別子と物理属性
| CAS No. | 367-25-9 |
|---|---|
| 分子式 | C6H5F2N |
| 平均分子量 | 129.11 g/mol |
| 単同位体質量 | 129.0390056 g/mol |
| SMILES | Nc1ccc(F)cc1F |
| InChIKey | CEPCPXLLFXPZGW-UHFFFAOYSA-N |
| PubChem CID | 9709 |
| ChEMBL | CHEMBL1423658 |
| EC No. | 206-687-5 |
| DTXSID | DTXSID6025064 |
| 現地名 | 2,4-ジフルオロアニリン |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 26 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 97.1 |
| 密度 | 1.268 (NTP, 1992) - Denser than waterwill sink1.268 g/mL at 25 °C (lit.) |
| 溶解度 | 10 to 50 mg/mL at 68.9 °F (NTP, 1992)混和しないか、混合しにくい。20.55℃で1～5g/100mL |
| 引火点 | 145 °F (NTP, 1992) |
| 沸点 | 338 °F at 753 mmHg (NTP, 1992)170 °C/753 mmHg (lit.) |
| 融点 | 18.5 °F (NTP, 1992)-7.5 °C (lit.) |
| Physical Description | 2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992) |
| 屈折率 | n20/D 1.506(lit.) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,2-8°C |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 3.26±0.10(Predicted) |
| 比重 | 1.284 (20/4℃) |
| 色 | クリアブラウン |
| Merck | 14,3147 |
| BRN | 2802556 |
| 安定性 | 安定。可燃性。強酸化剤、酸、酸塩化物、酸無水物とは相容れない。 |
| InChI | 1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2 |
| InChIKey | CEPCPXLLFXPZGW-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)cc1F |
| LogP（分配係数） | 1.7 at 25℃ and pH5-9 |
| CAS データベース | 367-25-9(CAS DataBase Reference) |
| NISTの化学物質情報 | 2,4-Difluoroaniline(367-25-9) |
| EPAの化学物質情報 | 2,4-Difluoroaniline (367-25-9) |
化学的特性
dark red liquid
安全性と法規制
| GHS 分類 | DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Benzenamine, 2,4-difluoro-Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24338Benzenamine, 2,4-difluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | This compound is combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: This compound may be irritating to tissues. (NTP, 1992) |
| 反応性グループ | Aryl Halides |
| Reactivity Profile | Anilines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| 消火 | Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
用途
使用
2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
一般的な説明
Dark reddish-purple liquid.