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2-メトキシ-4-ニトロアニリン(97-52-9)

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2-メトキシ-4-ニトロアニリン 製品概要
化学名:2-メトキシ-4-ニトロアニリン
英語化学名:2-Methoxy-4-nitroaniline
别名:redbasecibav;redbaseirgav;Brilliant Red Developing Base 4B;-Amino-5-nitrophenyl methyl ether;RED R BASE;4-Nitro-o-anisidine (NH2=1);Benzenamine, 2-methoxy-4-nitro-;4-NITRO-2-ANISIDINE ( 2-METHOXY-4-NITRO ANILINE )
CAS番号:97-52-9
分子式:C7H8N2O3
分子量:168.15
EINECS:202-588-6
カテゴリ情報:Intermediates of Dyes and Pigments;Dyes and Pigments;Anilines, Amides & Amines;Anisoles, Alkyloxy Compounds & Phenylacetates;Nitro Compounds
Mol File:97-52-9.mol
2-メトキシ-4-ニトロアニリン
2-メトキシ-4-ニトロアニリン 物理性質
融点 140-142 °C(lit.)
沸点 337.07°C (rough estimate)
比重(密度) 1,211 g/cm3
屈折率 1.6010 (estimate)
貯蔵温度 Store below +30°C.
溶解性0.2g/l
酸解離定数(Pka)1.02±0.10(Predicted)
外見 Crystalline Powder
色Yellow to orange
PH6.2 (0.2g/l, H2O, 20℃)
水溶解度 slightly soluble
BRN 879619
InChIKeyGVBHRNIWBGTNQA-UHFFFAOYSA-N
CAS データベース97-52-9(CAS DataBase Reference)
NISTの化学物質情報Benzenamine, 2-methoxy-4-nitro-(97-52-9)
EPAの化学物質情報2-Methoxy-4-nitroaniline (97-52-9)
安全性情報
主な危険性 Xn,Xi
Rフレーズ 22-36/37/38-20/21/22
Sフレーズ 26-37/39-36/37
RIDADR UN 3077 9 / PGIII
WGK Germany 2
RTECS 番号BZ7170000
Hazard Note Irritant
TSCA Yes
HSコード 29222900
MSDS Information
ProviderLanguage
2-Methoxy-4-nitroaniline English
SigmaAldrich English
ACROS English
ALFA English
2-メトキシ-4-ニトロアニリン Usage And Synthesis
外観黄色〜褐色, 結晶〜粉末
溶解性エタノールに溶ける。
用途医薬?染料中間体、染料助剤
用途分散染料の中間体
化学的特性2-Methoxy-4-nitroaniline is a yellow to orange crystalline powder. 2-Methoxy-4-nitroaniline (MONA) is a potential nonlinear optical (NLO) material, the N12–O19 bond length of MONA molecule is essentially controlled by the p-character of these hybrid orbitals and also by the nature of the N12–O19 bond. The molecular geometry of the compound is almost planar with the substituents[1].
使用2-Methoxy-4-nitroaniline is an important intermediate for preparing organic pigments and color bases of ice dyeing dyestuff. As a benzene dye intermediate, It is generally employed to prepare not only fast pigments but also as a printing and dyeing developer for cotton fabrics. In particular, 2-methoxy-4-nitroaniline is also important in production of some antineoplastic drugs[2-3].
使用2-Methoxy-4-nitroaniline is used as a photometric reagent for the determination of ethinylestradiol (ETE), a semi-synthetic estrogen that is widely used in oral contraceptives.
一般的な説明2-Methoxy-4-nitroaniline is an important inducer of CYP1A2 owing to its small molecular size.
燃焼性と爆発性Non flammable
Biochem/physiol ActionsThe metabolism of 2-methoxy-4-nitroaniline (MNA) occurs via the hydroxylation of the phenyl ring to form 6-hydroxy MNA in Harlan Sprague Dawley rats and B6C3F(1)/N mice.
Solubility in organicsThe change trend of the solubility magnitude in different monosolvents from high to low was as follows: N-methylpyrrolidone (NMP) > dimethyl sulfoxide (DMSO) > 1,4-dioxane > ethyl acetate > acetonitrile > ethanol > methanol > n-propanol > isopropanol >  ethylene glycol (EG) > n-butanol > water[2].
参考文献[1] Bao Y, et al. 2-Methoxy-4-nitroaniline Solubility in Several Monosolvents: Measurement, Correlation, and Solvent Effect Analysis. Journal of Chemical & Engineering Data, 2020; 65: 757–765.
[2] Degawa M, et al.2-Methoxy-4-nitroaniline is a selective inducer of cytochrome P450IA2 (CYP1A2) in rat liver. Cancer Letters, 1995; 96: 95-98.
[3] Ravikumar C, et al. Electronic absorption and vibrational spectra and nonlinear optical properties of 4-methoxy-2-nitroaniline. Physical Chemistry Chemical Physics, 2010; 12: 9452-9460.
Tags:97-52-9