N-メチル-4-ニトロアニリン

N-Methyl-4-nitroaniline

HCID 7483

基本情報

CAS: 100-15-2
標準SMILES: CNc1ccc([N+](=O)[O-])cc1
InChIKey: XIFJZJPMHNUGRA-UHFFFAOYSA-N
分子式: C7H8N2O2
平均分子量: 152.15 g/mol
単同位体質量: 152.0585775

概要

N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)

名称と識別子

優先名称: N-Methyl-4-nitroaniline
IUPAC: N-methyl-4-nitroaniline
現地名: N-メチル-4-ニトロアニリン
英語名: N-Methyl-4-nitroaniline
分子式: C7H8N2O2
分子量: 152.15

名称と別名

N-Methyl-4-nitroaniline100-15-2Benzenamine, N-methyl-4-nitro-N-Methyl-p-nitroaniline4-Nitro-N-methylanilineN-Methyl-p-nitranilinep-Nitro-N-methylanilinep-(Methylamino)nitrobenzeneN-Monomethyl-p-nitroanilineAniline, N-methyl-p-nitro-N-METHYL-4-NITROBENZENAMINEmethyl(4-nitrophenyl)amine

名称をさらに表示

N-メチル-4-ニトロアニリンN-メチル-P-ニトロアニリンN‐メチル‐P‐ニトロアニリンNitronanilineMethyl-4-nitroanilineN-methy-4-nitroanlineIntedanib Impurity 10Miglinide intermediate

DTXSID70256354-(Methylamino)nitrobenzeneJ836WLV9BWNSC-5390DTXCID605635RefChem:163712N-methyl-para-nitroaniline202-823-2

データベース識別子

CAS: 100-15-2
PubChem CID: 7483
DTXSID: DTXSID7025635

物性

構造計算による物性

XLogP: 2
極性表面積: 57.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
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

Chemical ClassesNitrogen Compounds -> Nitroanilines

SpringerMaterials PropertiesDensity

LogP1.98

Density1.201 at 311 °F (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)

Boiling PointDecomposes (NTP, 1992)

物理化学的性質

融点: 149 · 149-151 °C(lit.)
沸点

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 · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenamine, N-methyl-4-nitro-

Benzenamine, N-methyl-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N-methyl-4-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: N-methyl-4-nitroaniline (EC: 202-823-2)

DOT LabelPoison

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: This chemical may cause irritation.

Hazards SummaryMay cause irritation; [NTP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion, inhalation, and skin absorption; May have cumulative adverse effects to organs; [Alfa Aesar MSDS] See p-Nitroaniline.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesStabilizing agent

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Benzenamine, N-methyl-4-nitro-: ACTIVE

応用分野

使用N-Methyl-4-nitroaniline is a versatile reactant used in the synthesis of oxindoles using Pd-catalyzed cyclization of chloroacetanilides.

一般的な説明Brownish-yellow prisms with violet reflex (from ethanol) or yellow powder.

調製方法

純化方法Crystallise the aniline from aqueous EtOH. [Beilstein 12 H 714.]

上流・下流製品情報

上流原料

4'-ニトロアセトアニリドヨードメタン

下流製品

マグネソン 6-ニトロキノリン 4'-ニトロ-4-アミノアゾベンゼン disodium 3-[[4-[[4-amino-6(or 7)-sulphonatonaphthyl]azo]phenyl]azo]-6-[(2,4-diaminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 100-15-2
標準SMILES: CNc1ccc([N+](=O)[O-])cc1
InChIKey: XIFJZJPMHNUGRA-UHFFFAOYSA-N
分子式: C7H8N2O2
平均分子量: 152.15 g/mol
単同位体質量: 152.0585775

概要

N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)