化工社化工社 化学情報印刷レポート · 研究参考用
N-(4-ニトロベンゾイル)グリシン
N-(4-ニトロフェニルカルボニル)グリシン · p-ニトロベンゾイルグリシン · N-(p-ニトロベンゾイル)グリシン · (p-ニトロベンゾイルアミノ)酢酸 · (4-ニトロベンゾイルアミノ)酢酸 · N-(4-ニトロベンゾイル)グリシン · 4-ニトロ馬尿酸 · 2-[(4-ニトロフェニル)ホルムアミド]酢酸
識別子と物理属性
| CAS No. | 2645-07-0 |
|---|---|
| 分子式 | C9H8N2O5 |
| 平均分子量 | 224.17 g/mol |
| 単同位体質量 | 224.04332136 g/mol |
| SMILES | O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 |
| InChIKey | XCMUCRMMVDSVEL-UHFFFAOYSA-N |
| PubChem CID | 17549 |
| ChEMBL | CHEMBL8682 |
| EC No. | 220-156-5 |
| DTXSID | DTXSID8025759 |
| 現地名 | N-(4-ニトロベンゾイル)グリシン |
化学・物理的性質
| XLogP | -0.4 |
|---|---|
| 極性表面積 | 112 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 3 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 291 |
| 溶解度 | 1 to 5 mg/mL at 72 °F (NTP, 1992) |
| 融点 | 268 to 271 °F (NTP, 1992)131-133 °C(lit.) |
| Physical Description | 4-nitrohippuric acid is a yellow powder. (NTP, 1992) |
| 沸点 | 365.56°C (rough estimate) |
| 密度 | 1.4656 (rough estimate) |
| 屈折率 | 1.5570 (estimate) |
| 貯蔵条件 | Storage temp. 2-8°C |
| pKa（酸解離定数） | 3.31±0.10(Predicted) |
| 外観・状態 | Solid |
| 色 | White to off-white |
| InChI | InChI=1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13) |
| InChIKey | XCMUCRMMVDSVEL-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CNC(=O)C1=CC=C([N+]([O-])=O)C=C1 |
| CAS データベース | 2645-07-0(CAS DataBase Reference) |
| EPAの化学物質情報 | Glycine, N-(4-nitrobenzoyl)- (2645-07-0) |
化学的特性
YELLOW GRANULES
安全性と法規制
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
|---|---|
| 反応性グループ | Acids, Carboxylic |
| Reactivity Profile | A nitrated amide and organic acid. Acts as a weak acid in aqueous solution. 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 | Slightly soluble in water. |
| 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated 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) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | MC0785000 |
| 税関コード | 29242990 |
| 安全措置（S） | 24/25 |
用途
一般的な説明
Yellow powder.