化工社化工社 化学情報印刷レポート · 研究参考用
2,2-ジフルオロエチルアミン
2,2-ジフルオロエチルアミン · 2,2-difluoroethanaMine · uoroethyL · CF2HCH2NH2 · AKOS B028561 · 2,2-Difluoroamine · Difluoroethylamine · ART-CHEM-BB B028561
識別子と物理属性
| CAS No. | 430-67-1 |
|---|---|
| 分子式 | C2H5F2N |
| 平均分子量 | 81.06 g/mol |
| 単同位体質量 | 81.0390056 g/mol |
| SMILES | NCC(F)F |
| InChIKey | OVRWUZYZECPJOB-UHFFFAOYSA-N |
| PubChem CID | 136274 |
| ChEMBL | CHEMBL1162281 |
| EC No. | 671-709-6 |
| DTXSID | DTXSID40195621 |
| 現地名 | 2,2-ジフルオロエチルアミン |
化学・物理的性質
| XLogP | 0.1 |
|---|---|
| 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 | 1 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 21.6 |
| SpringerMaterials Properties | Coriolis coupling |
| Dissociation Constants | 7.3 |
| 沸点 | 67.5-68.5 |
| 密度 | 1,15 g/cm3 |
| 蒸気圧 | 14-56kPa at 20-50℃ |
| 屈折率 | 1.3410-1.3450 |
| pKa（酸解離定数） | 7.09±0.30(Predicted) |
| 外観・状態 | clear liquid |
| 色 | Colorless to Yellow |
| InChI | InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2 |
| InChIKey | OVRWUZYZECPJOB-UHFFFAOYSA-N |
| SMILES | C(N)C(F)F |
| CAS データベース | 430-67-1(CAS DataBase Reference) |
化学的特性
Liquid
安全性と法規制
| GHS 分類 | DangerH290 (52.6%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Active Update: 08-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5753 |
| Hazard Classes and Categories | Met. Corr. 1 (52.6%) |
| 水環境危害等級（WGK） | WGK 3 |
| 輸送番号（UN） | 2735 |
| 税関コード | 29211990 |
| 危険文句（R） | 34-36/37 |
| 消防法 | 危-4-1-II |
| 危険表示 | C,Xi |
| 安全措置（S） | 26-36/37/39-24/25 |
| 危険等級 | IRRITANTEye Irrit. 2Met. Corr. 1STOT SE 3 |
| 包装等級 | II |
| 貯蔵分類 | 8A - Combustible corrosive hazardous materials |
用途
使用
2,2-Difluoroethylamine (DFEA) is an ESI-compatible buffering reagent whose conjugate acid has a pKa of 7.2, providing buffering capacity at physiological pH[1]. 2,2-Difluoroethylamine serves as a nucleophile in Ni-catalyzed C–N cross-couplings with aryl electrophiles, including N-arylation of fluoroalkylamines and competition studies against other heteroatom-containing nucleophiles[2].