化工社化工社 化学情報印刷レポート · 研究参考用
4-メトキシ-3-ニトロ-N-フェニルベンズアミド
4-メトキシ-3-ニトロ-N-フェニルベンズアミド · 3-ニトロ-4-メトキシベンズアニリド · 4-methoxy-3-nitro-n-phenylbenzamide · 3-nitro-p-anisanilid · 3-NITRO-P-ANISANILIDE · p-Anisanilide, 3-nitro. · 4-methoxy-3-nitro-n-phenyl · 3-Nitro-4-methoxybenzanilide
識別子と物理属性
| CAS No. | 97-32-5 |
|---|---|
| 分子式 | C14H12N2O4 |
| 平均分子量 | 272.26 g/mol |
| 単同位体質量 | 272.07970687 g/mol |
| SMILES | COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] |
| InChIKey | YKOCPBMVMBUTAX-UHFFFAOYSA-N |
| PubChem CID | 7331 |
| ChEMBL | CHEMBL1325964 |
| EC No. | 202-572-9 |
| DTXSID | DTXSID7025558 |
| 現地名 | 4-メトキシ-3-ニトロ-N-フェニルベンズアミド |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 極性表面積 | 84.2 |
| 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 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 350 |
| 溶解度 | less than 0.1 mg/mL at 59 °F (NTP, 1992) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | 4-methoxy-3-nitro-n-phenylbenzamide is a light tan solid. (NTP, 1992) |
| 沸点 | 415.31°C (rough estimate) |
| 密度 | 1.2499 (rough estimate) |
| 蒸気圧 | 0.001Pa at 20℃ |
| 屈折率 | 1.6180 (estimate) |
| 外観・状態 | Powder |
| LogP（分配係数） | 2.69 at 23℃ and pH7.8-7.9 |
| EPAの化学物質情報 | 4-Methoxy-3-nitro-N-phenylbenzamide (97-32-5) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.WarningH319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | REACH registered substance: 4-methoxy-3-nitro-N-phenylbenzamide (EC: 202-572-9) |
| 火災危険 | This chemical is probably combustible. (NTP, 1992) |
| 反応性グループ | Amides and Imides |
| Reactivity Profile | A nitrated benzamide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water. |
| Hazard Classes and Categories | Eye Irrit. 2 (97.4%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| TSCA 収載状態 | TSCA listed |
用途
一般的な説明
Light tan solid.