(クロロアセチルアミノ)ベンゼン
Chloroacetanilide
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
587-65-5- 標準SMILES
O=C(CCl)Nc1ccccc1- InChIKey
VONWPEXRCLHKRJ-UHFFFAOYSA-N- 分子式
- C8H8ClNO
- 平均分子量
- 169.61 g/mol
- 単同位体質量
- 169.02944156
名称と識別子
- 優先名称
- Chloroacetanilide
- IUPAC
- 2-chloro-N-phenylacetamide
- 現地名
- (クロロアセチルアミノ)ベンゼン
- 英語名
- 2-Chloro-N-phenylacetamide
- 分子式
- C8H8ClNO
- 分子量
- 169.61
名称と別名
2-CHLORO-N-PHENYLACETAMIDE2-Chloroacetanilide587-65-5ChloroacetanilideN-PhenylchloroacetamideN-Phenyl-2-chloroacetamideAcetanilide, 2-chloro-DTXSID3041409alpha-Chloroacetanilide2R6RM9R0W8NSC-311DTXCID1021409
名称をさらに表示
2-クロロ-N-フェニルアセトアミド(クロロアセチルアミノ)ベンゼン2-クロロアセトアニリドN-フェニルクロロアセトアミドω-クロロアセトアニリドN-フェニル-2-クロロアセトアミドα-クロロアセトアニリドN-(クロロアセチル)アニリンSKL808AKOS B015615ART-CHEM-BB B0156152-chloro-acetanilidDiclofenac Impurity 24Paracetamol Impurity 8N-(CHLOROACETYL)ANILINE
RefChem:86436209-604-0Acetamide, 2-chloro-N-phenyl-MFCD00018887.alpha.-ChloroacetanilideNSC 311Diclofenac Impurity T.omega.-Chloroacetanilide
データベース識別子
- CAS
587-65-5- PubChem CID
- 11485
- DTXSID
DTXSID3041409- ChEMBL
CHEMBL2164307- UNII
- 2R6RM9R0W8
- EC Number
- 209-604-0
- Nikkaji
- J33.441C
物性
構造計算による物性補完中
- XLogP
- 1.6
- 極性表面積
- 29.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 132
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP
Log P= 1.63
1.63
Color/FormVery light beige, crystalline powder
SolubilityPractically insoluble
Melting Point86-88 °C
Vapor Pressure0.0000433 [mmHg]
Physical DescriptionLight beige solid; [HSDB]
物理化学的性質
- 融点
- 136 · 136-139 °C (lit.)
- 沸点
- 340 · 340.0±25.0 °C(Predicted)
- 比重(密度)
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
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
Warning
H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards SummaryAn irritant; May induce methemoglobinemia; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts
2-CHLORO-N-PHENYLACETAMIDE SHOWED RELATIVELY WEAK CHOLINE ACETYLTRANSFERASE INHIBITION ACTIVITY.
The effects of 2-chloroacetanilide (2-CAA), 3-chloroacetanilide (3-CAA) and 4-chloroacetanilide (4-CAA) on liver and kidney function and morphology were examined in rats. Male Fischer 344 rats were given a single ip injection of a chloroacetanilide at 0.5, 1.0 or 1.5 millimole/kg. Renal function was monitored for 24 or 48 hr following dosing. At 24 or 48 hr, liver function and tissue morphology were determined. At the two lower dose levels,all three chloroacetanilide isomers decr food and water intake on day 1 after treatment. Food intake remained depressed in 2-CAA and 3-CAA treated animals on the second day, but water intake was normal. Urinary protein excretion on day 1 was incr only in rats treated with 4-CAA. Blood urea nitrogen concn was not incr in any group at 48 hr while kidney weight was incr only in the 3-CAA treated group. Hepatic weight was incr at 48 hr in rats treated with 3-CAA and 4-CAA. Plasma alanine aminotransferase activity was incr at 48 hr only in the 4-CAA group. In additional studies, renal cortical slices from untreated rats were incubated with a chloroacetanilide or vehicle and the effect on organic ion accumulation was determined. Chloroacetanilides were shown to directly alter renal function in an isomer specific manner.
化学と産業
用途と製造
UsesNot commercially produced in the US; [HSDB]
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
応用分野
使用2-Chloro-N-phenylacetamide is used as a reagent in the synthesis of indolylmethylene benzo[h]thiazolo[2,3-b]quinazolinones which exhibit anticancer and antimicrobial activities in vitro.
一般的な説明2-Chloro-N-phenylacetamide, also known as chloroacetanilide, can be prepared by reacting aniline with chloroacetylchloride in glacial acetic acid. The analysis of its crystal structure shows the presence of N-H...O hydrogen bonds between the molecules.
上流・下流製品情報
上流原料
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