化工社化工社 化学情報印刷レポート · 研究参考用
4-ヒドロキシベンズアミド
4-ヒドロキシベンズアミド · p-ヒドロキシベンズアミド · 4-HYDROXYBENZAMIDE · P-HYDROXYBENZAMIDE · Benzamide,p-hydroxy- · Benzamide,4-hydroxy- · 4-Hydroxybenzamide>4-HYDROXYBENZAMIDE 98% · Tetracaine Impurity 47
識別子と物理属性
| CAS No. | 619-57-8 |
|---|---|
| 分子式 | C7H7NO2 |
| 平均分子量 | 137.14 g/mol |
| 単同位体質量 | 137.04767846 g/mol |
| SMILES | NC(=O)c1ccc(O)cc1 |
| InChIKey | QXSAKPUBHTZHKW-UHFFFAOYSA-N |
| PubChem CID | 65052 |
| ChEMBL | CHEMBL123617 |
| ChEBI | CHEBI:220253 |
| EC No. | 210-602-7 |
| DTXSID | DTXSID10210931 |
| 現地名 | 4-ヒドロキシベンズアミド |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 63.3 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 128 |
| SpringerMaterials Properties | Chemical shift |
| LogP（分配係数） | 0.33 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 融点 | 161-162 °C (lit.) |
| 沸点 | 345.3±25.0 °C(Predicted) |
| 密度 | 1.286±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 8.60±0.13(Predicted) |
| 色 | White to Light yellow to Dark green |
| BRN | 1906921 |
| InChI | InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10) |
| InChIKey | QXSAKPUBHTZHKW-UHFFFAOYSA-N |
| SMILES | C(N)(=O)C1=CC=C(O)C=C1 |
| CAS データベース | 619-57-8(CAS DataBase Reference) |
化学的特性
White to off-white crystalline powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 11.3% (6 of 53) of reports.WarningH315 (88.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (88.7%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29242990 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39-36 |
| 危険等級 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
4-Hydroxybenzamide is a secondary metabolite from marine sponge Phakellia fusca.
一般的な説明
The standard molar enthalpy of formation of 4-hydroxybenzamide was studied by micro- or macrocombustion calorimetry.