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3-ニトロベンゾイルクロリド
3-ニトロベンゾイルクロリド · m-ニトロベンゾイルクロリド · 3-ニトロベンゼンカルボニルクロリド · 3-ニトロ安息香酸クロリド · 3-ニトロ安息香酸クロライド · 塩化3-ニトロベンゾイル 塩化物 · 塩化3-ニトロベンゾイル · 3-NITROBENZOYL CHLORIDE
識別子と物理属性
| CAS No. | 121-90-4 |
|---|---|
| 分子式 | C7H4ClNO3 |
| 平均分子量 | 185.56 g/mol |
| 単同位体質量 | 184.98797067 g/mol |
| SMILES | O=C(Cl)c1cccc([N+](=O)[O-])c1 |
| InChIKey | NXTNASSYJUXJDV-UHFFFAOYSA-N |
| PubChem CID | 8495 |
| ChEMBL | CHEMBL1517721 |
| EC No. | 204-505-9 |
| DTXSID | DTXSID9025740 |
| 現地名 | 3-ニトロベンゾイルクロリド |
化学・物理的性質
| XLogP | 2.8 |
|---|---|
| 極性表面積 | 62.9 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 1 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 201 |
| SpringerMaterials Properties | Boiling point |
| 溶解度 | Decomposes (NTP, 1992)soluble in Ether,Benzene,Toluene分解する |
| 引火点 | greater than 233.6 °F (NTP, 1992)>230 °F |
| 沸点 | 527 to 532 °F at 760 mmHg (NTP, 1992)275-278 °C(lit.) |
| 融点 | 95 °F (NTP, 1992)31-34 °C(lit.) |
| 蒸気密度 | 6.43 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Physical Description | M-nitrobenzoyl chloride is a yellow to brown liquid. Unstable at room temperaturesrequires refrigeration when not in use. |
| 密度 | 1.42 |
| 屈折率 | 1.5810 (estimate) |
| 外観・状態 | 低融点固体 |
| 色 | 茶色 |
| 比重 | 1.59 |
| BRN | 777186 |
| InChI | 1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H |
| InChIKey | NXTNASSYJUXJDV-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(c1)C(Cl)=O |
| CAS データベース | 121-90-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzoyl chloride, 3-nitro-(121-90-4) |
| EPAの化学物質情報 | m-Nitrobenzoyl chloride (121-90-4) |
化学的特性
BROWN LOW MELTING SOLID
安全性と法規制
| GHS 分類 | DangerH311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | This chemical is combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: This chemical is unstable at room temperature or when exposed to sources of ignition. When heated to decomposition it emits highly toxic fumes. It will react with water or steam to produce toxic and corrosive fumes. (NTP, 1992) |
| 反応性グループ | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | M-NITROBENZOYL CHLORIDE is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
| Air and Water Reactions | May be unstable to prolonged exposure to air. Decomposes in water and alcohol. (NTP, 1992). |
| Hazard Classes and Categories | Acute Tox. 3 (89.1%) |
| 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 |
用途
使用
Manufacture of dyes for fabrics and color photography, intermediate in preparation of pharmaceuticals.
一般的な説明
Yellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.