基本情報
- CAS
938-73-8- 標準SMILES
CCOc1ccccc1C(N)=O- InChIKey
SBNKFTQSBPKMBZ-UHFFFAOYSA-N- 分子式
- C9H11NO2
- 平均分子量
- 165.19 g/mol
- 単同位体質量
- 165.07897859
概要
2-ethoxybenzamide appears as white or almost-white crystalline powder. Almost odorless. Tasteless. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Ethoxybenzamide
- IUPAC
- 2-ethoxybenzamide
- 現地名
- 2-エトキシベンズアミド
- 英語名
- 2-Ethoxybenzamide
- 分子式
- C9H11NO2
- 分子量
- 165.19
名称と別名
2-ETHOXYBENZAMIDEethenzamide938-73-8o-EthoxybenzamideBenzamide, 2-ethoxy-EthbenzamideEtenzamideEthenzamidEthosalicylLucamidePirosolvinaEtamide
名称をさらに表示
2-エトキシベンズアミドルカミドエテンザミドo-エトキシベンズアミドエトキシベンズアミド2-エトキシベンゼンカルボアミド2-エトキシベンゾイルアミド2‐エトキシベンズアミドo - エトキシベンズアミド【エテンザミド】o -エトキシベンズアミド（エテンザミド）2-エトキシベンズアミド, 97%エテンザミド (JP17)h.p.209H.P. 209Lindatox
AnovigamEtosalicilEtosalicylKatagrippeProtopyrinTrancalgylEtocilEusal
データベース識別子
- CAS
938-73-8- PubChem CID
- 3282
- DTXSID
DTXSID4020581- ChEMBL
CHEMBL1483877- ChEBI
CHEBI:31564- UNII
- L929ZCK4BF
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 52.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 159
実験および物理化学的性質
LogP1.34
Solubilityless than 1 mg/mL at 61 °F (NTP, 1992)
Melting Point270 to 273 °F (NTP, 1992)
Physical Description2-ethoxybenzamide appears as white or almost-white crystalline powder. Almost odorless. Tasteless. (NTP, 1992)
物理化学的性質
- 融点
- 132 · 132-134 °C (lit.)
- 沸点
- 293.03 °C · 293.03°C (rough estimate)
- 比重(密度)
- 1.1603 · 1.1603 (rough estimate)
- 屈折率
- 1.562 · 1.5620 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム（微量）、ジクロロメタン（微量）
- 酸解離定数(Pka)
- 15.62 · 15.62±0.50(Predicted)
- 外見
- 粒状結晶性粉末
- 色
- 白～ほぼ白
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 16 ºC
- Merck
- 14 · 14,3731
- InChI
- InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.
Not Classified
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationBenzamide, 2-ethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
2-ETHOXYBENZAMIDE is an amide. 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 ReactionsInsoluble in water.
Hazard Classes and CategoriesNot Classified
安全と保護具
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
用途と製造
General Manufacturing InformationBenzamide, 2-ethoxy-: INACTIVE
応用分野
用途薬理研究用。
用途プロスタグランジン生合成阻 害作用を示します。
用途プロスタグランジン生合成阻 害作用を示します。
一般的な説明White or almost-white crystalline powder. Almost odorless. Tasteless.
上流・下流製品情報
上流原料
関連反応
2 件
化合物ノート
読み込み中…