基本情報
- CAS
103-89-9- 標準SMILES
CC(=O)Nc1ccc(C)cc1- InChIKey
YICAMJWHIUMFDI-UHFFFAOYSA-N- 分子式
- C9H11NO
- 平均分子量
- 149.19 g/mol
- 単同位体質量
- 149.08406397
概要
N-acetyl-p-toluidine appears as colorless needles. (NTP, 1992)
名称と識別子
- 優先名称
- 4-Methylacetanilide
- IUPAC
- N-(4-methylphenyl)acetamide
- 現地名
- p-アセトトルイジン
- 英語名
- p-Acetotoluidide
- 分子式
- C9H11NO
- 分子量
- 149.19
名称と別名
4-MethylacetanilideRefChem:8579664'-Methylacetanilide103-89-9p-AcetotoluidideN-(4-Methylphenyl)acetamideP-AcetotoluideN-ACETYL-P-TOLUIDINEp-Acetotoluidine4-AcetotoluideAcetyl-p-toluidinep-Methylacetanilide
名称をさらに表示
p-アセトトルイジンN-アセチル-4-メチルアニリンN-p-トリルアセトアミド4'-メチルアセトアニリドN-(p-トリル)アセトアミド1-(アセチルアミノ)-4-メチルベンゼンアセト-p-トルイジドN-(p-メチルフェニル)アセトアミドp-メチルアセトアニリドN-(4-メチルフェニル)アセトアミドp-アセトトルイジドN-アセチル-p-トルイジン4-アセチルアミノトルエンp-アセトトルイド4′-メチルアセトアニリド4’-メチルアセトアニリドP‐アセトトルイジド4-アセトトルイジン4-メチルアセトアニリド4'-メチルアセトアニリド, 98+%NSC 7644p-TolyacetamideP-TOLYLACETAMIDE
Acetamide, N-(4-methylphenyl)-p-Acetamidotoluene4-(Acetylamino)toluene1-Acetamido-4-methylbenzene4-AcetotoluidideN-Acetyl-p-toluidideN-(p-tolyl)acetamideN-p-tolylacetamide
物性
構造計算による物性
- XLogP
- 1.7
- 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
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 136
実験および物理化学的性質
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.4
Density1.212 at 59 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Flash Point335 °F (NTP, 1992)
Boiling Point585 °F at 760 mmHg (sublimes) (NTP, 1992)
Melting Point307 °F (NTP, 1992)
Vapor Density5.14 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Physical DescriptionN-acetyl-p-toluidine appears as colorless needles. (NTP, 1992)
物理化学的性質
- 融点
- 149 · 149-151 °C(lit.)
- 沸点
- 307 °C · 307 °C(lit.)
- 比重(密度)
- 1.21 · 1.21
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Acetamide, N-(4-methylphenyl)-
Acetamide, N-(4-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
N-ACETYL-P-TOLUIDINE is an amide. Flammable gases are formed by the reaction of organic amides 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 ReactionsWater insoluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
薬理情報
Metabolism/Metabolites4'-Methylacetanilide is a known human metabolite of p-Toluidine.
用途と製造
General Manufacturing InformationAcetamide, N-(4-methylphenyl)-: ACTIVE
応用分野
用途有機合成原料。
説明p-Acetotoluidide is an off-white to brown flake, odourless, solid or crystalline powder (pure form), which is soluble in hot water, alcohol, ether, chloroform, acetone, glycerol, and benzene. It is combustible and undergoes self-ignition (at 5450°C) but is otherwise stable under most conditions. p-Acetanilide on decomposition releases carbon monoxide, oxides of nitrogen, carbon dioxide, and toxic fumes. p-Acetanilide is used as an inhibitor of peroxides and stabiliser for cellulose ester varnishes. It is used as an intermediate for the synthesis of rubber accelerators, dyes and dye intermediate, and camphor. It is also used as a precursor in penicillin synthesis and other pharmaceuticals including painkillers and intermediates. Phenylacetamide structure shows analgesic and antipyretic effects. But acetanilide is not used directly for this application due to causing methemoglobinemia (the presence of excessive methemoglobin which does not function reversibly as an oxygen carrier in the blood).
使用4′-Methylacetanilide was used in the synthesis of stable crystalline phosphorus ylides.
一般的な説明Colorless needles.
調製方法
純化方法Crystallise it from aqueous EtOH. [Beilstein 12 H 920, 12 I 420, 12 II 501, 12 III 2051, 12 IV 1902.]
上流・下流製品情報
下流製品
関連反応
4 件
化合物ノート
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