基本情報
- CAS
21340-68-1- 標準SMILES
COC(=O)C(C)(C)Oc1ccc(-c2ccc(Cl)cc2)cc1- InChIKey
CLJAWWBXVXWHFD-UHFFFAOYSA-N- 分子式
- C17H17ClO3
- 平均分子量
- 304.8 g/mol
- 単同位体質量
- 304.0866221
概要
Methyl clofenapate is a white powder. (NTP, 1992)
名称と識別子
- 優先名称
- Methyl 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methylpropanoate
- IUPAC
- methyl 2-[4-(4-chlorophenyl)phenoxy]-2-methylpropanoate
- 現地名
- 2-[(4'-クロロ-1,1'-ビフェニル-4-イル)オキシ]-2-メチルプロピオン酸メチル
- 英語名
- Methyl clofenapate
- 分子式
- C17H17ClO3
- 分子量
- 304.77
名称と別名
Methyl clofenapate21340-68-1CLOFENAPATEICI 54856 methyl esterF54J2WV8PXDTXSID8020836Propanoic acid, 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methyl-, methyl esterICI-54856 METHYL ESTERMethyl-2-(4-(p-chlorophenyl)phenoxy)-2-methylpropionateMethylclofenapateMethyl 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]-2-methylpropanoatePropionic acid, 2-((4'-chloro-4-biphenylyl)oxy)-2-methyl-, methyl ester
名称をさらに表示
メチルクロフェナパート2-[[4'-クロロ-1,1'-ビフェニル-4-イル]オキシ]-2-メチルプロピオン酸メチルクロフェノプ酸メチル2-[4-(4-クロロフェニル)フェノキシ]-2-メチルプロピオン酸メチル2-[(4'-クロロ-1,1'-ビフェニル-4-イル)オキシ]-2-メチルプロピオン酸メチル2-[[4′-クロロ-1,1′-ビフェニル-4-イル]オキシ]-2-メチルプロピオン酸メチル2-[(4′-クロロ-1,1′-ビフェニル-4-イル)オキシ]-2-メチルプロピオン酸メチルメチル 2-({4'-クロロ-[1,1'-ビフェニル]-4-イル}オキシ)-2-メチルプロパノアートMethyl Clofenopate2-[[4'-Chloro-1,1'-biphenyl-4-yl]oxy]-2-methylpropionic acid methyl ester
Clofenapate, MethylMethyl 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methylpropanoatePropanoic acid, 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]-2-methyl-, methyl esterICI55695ICI 55695RefChem:813075DTXCID20836methyl 2-[4-(4-chlorophenyl)phenoxy]-2-methylpropanoate
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 35.5 Ų
- 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
- 5
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 340
実験および物理化学的性質
Physical DescriptionMethyl clofenapate is a white powder. (NTP, 1992)
物理化学的性質
- 融点
- 90 °C · 90 °C
- 沸点
- 419.15 °C · 419.15°C (rough estimate)
- 比重(密度)
- 1.1483 · 1.1483 (rough estimate)
- 屈折率
- 1.4585 · 1.4585 (estimate)
- 外見
- Solid
- 色
- White to off-white
- EPAの化学物質情報
- 2 · Propanoic acid, 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]-2-methyl-, methyl ester (21340-68-1)
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。
危険有害性情報
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
A halogenated ester derivative. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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.
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
応用分野
一般的な説明White powder.
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