識別子と物理属性
| CAS No. | 5043-19-6 |
|---|
| 分子式 | C11H9NO2 |
|---|
| 平均分子量 | 187.19 g/mol |
|---|
| 単同位体質量 | 187.06332853 g/mol |
|---|
| SMILES | Nc1cccc2ccc(C(=O)O)cc12 |
|---|
| InChIKey | PBWULNOSRHQTHZ-UHFFFAOYSA-N |
|---|
| PubChem CID | 13440887 |
|---|
| EC No. | 895-223-0 |
|---|
| DTXSID | DTXSID90540925 |
|---|
| 現地名 | 8-アミノ-2-ナフトエ酸 |
|---|
化学・物理的性質
| XLogP | 2.1 |
|---|
| 極性表面積 | 63.3 |
|---|
| 水素結合供与体数 | 2 |
|---|
| 水素結合受容体数 | 3 |
|---|
| 回転可能結合数 | 1 |
|---|
| 重原子数 | 14 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 229 |
|---|
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%) |
|---|
