化工社化工社 化学情報印刷レポート · 研究参考用
Benzenemethanamine, N-ethyl-4-(trifluoromethyl)-
Aids107207 · Aids-107207 · Ethyl[4-(trifluoromethyl)benzyl]amine · N-Ethyl-4-(trifluoromethyl)benzylamine · N-Ethyl-N-[4-(trifluoromethyl)benzyl]amine · N-Ethyl-4-(trifluoromethyl)benzenemethanamine · Ethyl({[4-(trifluoromethyl)phenyl]methyl})amine · Benzenemethanamine, N-ethyl-4-(trifluoromethyl)-
識別子と物理属性
| CAS No. | 90390-12-8 |
|---|---|
| 分子式 | C10H12F3N |
| 平均分子量 | 203.2 g/mol |
| 単同位体質量 | 203.09218387 g/mol |
| SMILES | CCNCc1ccc(C(F)(F)F)cc1 |
| InChIKey | HVEKJUAYPMGFDD-UHFFFAOYSA-N |
| PubChem CID | 485421 |
| ChEMBL | CHEMBL1182998 |
| EC No. | 816-817-8 |
| DTXSID | DTXSID30238137 |
化学・物理的性質
| XLogP | 2.5 |
|---|---|
| 極性表面積 | 12 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 3 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 159 |
| 沸点 | 208.3±35.0 °C(Predicted) |
| 密度 | 1.122±0.06 g/cm3(Predicted) |
| 貯蔵条件 | 2-8°C(protect from light) |
| pKa（酸解離定数） | 8.99±0.10(Predicted) |
| InChI | InChI=1S/C10H12F3N/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3 |
| InChIKey | HVEKJUAYPMGFDD-UHFFFAOYSA-N |
| SMILES | C1(CNCC)=CC=C(C(F)(F)F)C=C1 |
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| 注意喚起語 | 警告 |
| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302 |
用途
使用
N-Ethyl-4-(trifluoromethyl)benzylamine is used in preparation of 1,2-Dithiolone compounds and use thereof for controlling Phytopathogenic. microorganisms