識別子と物理属性
| CAS No. | 63432-37-1 |
|---|
| 分子式 | C8H7N3O2S |
|---|
| 平均分子量 | 209.23 g/mol |
|---|
| 単同位体質量 | 209.02589765 g/mol |
|---|
| SMILES | CSc1nn2ccccc2c1[N+](=O)[O-] |
|---|
| InChIKey | DBOKFPYOOZIULN-UHFFFAOYSA-N |
|---|
| PubChem CID | 12371636 |
|---|
| EC No. | 696-235-7 |
|---|
| DTXSID | DTXSID40494863 |
|---|
化学・物理的性質
| XLogP | 1.7 |
|---|
| 極性表面積 | 88.4 |
|---|
| 水素結合供与体数 | 0 |
|---|
| 水素結合受容体数 | 4 |
|---|
| 回転可能結合数 | 1 |
|---|
| 重原子数 | 14 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 233 |
|---|
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| 規制情報 | REACH registered substance: 2-(methylsulfanyl)-3-nitropyrazolo[1,5-a]pyridine (EC: 696-235-7) |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
