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1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

21581-49-7

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21581-49-7 Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

This is an alternative name for the compound, which is derived from its structure and functional groups.

Explanation

The compound is a derivative of catechol, which is a 1,2-benzenediol, with modifications at the 4th position.

Explanation

The compound contains an aromatic ring (benzene), two hydroxyl groups, an amino group, and a nitro group, which contribute to its chemical properties.

Explanation

The compound is used in various research areas, including coordination chemistry, material science, and pharmaceuticals.

Explanation

The compound has been studied for its potential benefits in the fields of biology and medicine, particularly as an antioxidant and antimicrobial agent.

Explanation

Due to the presence of hydroxyl and amino groups, the compound is expected to be soluble in polar solvents.

Explanation

The presence of the nitro group and the amino group in the compound may make it sensitive to various environmental factors, such as light, heat, and pH changes.

Explanation

As a chemical compound, it is important to handle it with care due to its potential hazards, including irritation, toxicity, and harmful effects upon inhalation or skin absorption.

Explanation

Proper storage conditions are essential to maintain the stability and safety of the compound, preventing degradation or hazardous reactions.

Structure

1,2-Benzenediol with a nitro group and an aminoethyl substituent at the 4th position

Functional groups

Aromatic ring, hydroxyl groups, amino group, and nitro group

Applications

Research as a ligand for metal ions, synthesis of coordination polymers, and investigation for biological and pharmaceutical properties

Biological and pharmaceutical properties

Antioxidant and antimicrobial activities

Solubility

Soluble in polar solvents such as water and alcohols

Stability

May be sensitive to light, heat, and acidic or basic conditions

Hazards

Potential irritant, toxic by ingestion, and harmful if inhaled or absorbed through the skin

Storage

Store in a cool, dry, and well-ventilated area, away from heat, light, and incompatible substances

Check Digit Verification of cas no

The CAS Registry Mumber 21581-49-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,5,8 and 1 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 21581-49:
(7*2)+(6*1)+(5*5)+(4*8)+(3*1)+(2*4)+(1*9)=97
97 % 10 = 7
So 21581-49-7 is a valid CAS Registry Number.

21581-49-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2-aminoethyl)-5-nitrobenzene-1,2-diol

1.2 Other means of identification

Product number -
Other names 5-nitrodopamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:21581-49-7 SDS

21581-49-7Downstream Products

21581-49-7Relevant academic research and scientific papers

Bioinspired underwater bonding and debonding on demand

Shafiq, Zahid,Cui, Jiaxi,Pastor-Perez, Lourdes,San Miguel, Veronica,Gropeanu, Radu A.,Serrano, Cristina,Del Campo, Aranzazu

, p. 4332 - 4335 (2012)

Mussel glue: Bioinspired underwater chemical bonding with the possibility of phototriggered debonding is reported. A four-arm star-poly(ethyleneglycol) end-functionalized by nitrodopamine was synthesized. The nitrodopamine offered the reactivity of catech

Catechol reactivity: Synthesis of dopamine derivatives substituted at the 6-position

Rote, Jennifer C.,Malkowski, Sarah N.,Cochrane, C. Skyler,Bailey, Gabrielle E.,Brown, Noah S.,Cafiero, Mauricio,Peterson, Larryn W.

, p. 435 - 441 (2017)

Dopamine is a ubiquitous neurotransmitter essential in the proper functioning of the human body. In addition to this critical role, the catecholamine core has shown utility as a scaffold for numerous drugs and in other applications, like metal detection and adhesive materials. Substituents at the 6-position of dopamine’s catechol core can modulate its stereoelectronic properties, the acidity of its phenolic hydroxyl groups, and the overall hydrophobicity of the molecule. Herein, we report the synthesis of a series of four novel dopamine analogues substituted at the 6-position of catechol core. The1H NMR chemical shift of the aromatic proton meta to the substituent correlated strongly with the Hammett σmconstant, confirming the electronic properties of substituents.

Erratum: Linking molecular behavior to macroscopic properties in ideal dynamic covalent networks (Journal of the American Chemical Society (2020) 142: 36 (15371-15385) DOI: 10.1021/jacs.0c06192)

Iten, Ramon,Marco-Dufort, Bruno,Tibbitt, Mark W.

, p. 18730 - 18731 (2020)

The "concentration of functional groups, c,"was defined incorrectly on page S18 of the Supporting Information. The (Table Presented) correct definition is as follows: c is the concentration of functional groups of one of the two network components, assuming that both components are present in equal amounts. Therefore, in a network formed from tetrafunctional macromers (f = 4) and where the total molar concentration of macromers is [PEG], c = f [PEG]/2 = 4[PEG]/2 = 2[PEG]. In the original Supporting Information, we took c as the total concentration of functional groups in the network, resulting in c = 4[PEG]. This formula was incorrect and resulted in erroneous values for select Keq or Gp data reported in Table 1 (page 15374) and Figure 8 (page 15381). The corrected Table 1 and Figure 8 are shown below, and the SI has been corrected accordingly. In addition, some of these data that are quoted in the article should be changed as follows (with the corrected values highlighted in bold). On page 15374: "Keq,c = 37.5 when c = 0.02 M,""Keq was determined to be 540 ± 65. [?] corresponding to Gp = 10.9 ± 2.0 kPa,"and "Keq was quantified as 277 ± 37 from NMR and 323 from DFT, corresponding to Gp = 8.0 ± 0.8 and 9.0 kPa, respectively."On page 15381: "The rheometric data exhibited a similar increase in Keq from 75 at pH 6 to 10750 at pH 9 (Figure 8c)"and "At pH 9, Keq = 1126 ± 108 and 565 (from spectroscopy and rheology, respectively) and then decreased sharply at pH 10 to Keq = 112 and 120 (Figure 8e,f)."On page 15373 (in the Figure 2 caption): "Keq = 540 ± 65."'Table Presented' These corrections do not affect any of the conclusions of the article but only the exact value of select parameters. We apologize for these errors and for any inconvenience caused to the readers. ? Associated Content: ? Supporting Information The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/jacs.0c10406. Synthesis, sample preparation, computational and experimental methods, and model descriptions (PDF). (Figure Presented).

Linking Molecular Behavior to Macroscopic Properties in Ideal Dynamic Covalent Networks

Marco-Dufort, Bruno,Iten, Ramon,Tibbitt, Mark W.

, p. 15371 - 15385 (2020)

Dynamic covalent networks (DCvNs) are increasingly used in advanced materials design with applications ranging from recyclable thermosets to self-healing hydrogels. However, the relationship between the underlying chemistry at the junctions of DCvNs and their macroscopic properties is still not fully understood. In this work, we constructed a robust framework to predict how complex network behavior in DCvNs emerges from the chemical landscape of the dynamic chemistry at the junction. Ideal dynamic covalent boronic ester-based hydrogels were used as model DCvNs. We developed physical models that describe how viscoelastic properties, as measured by shear rheometry, are linked to the molecular behavior of the dynamic junction, quantified via fluorescence and NMR spectroscopy and DFT calculations. Additionally, shear rheometry was combined with Transition State Theory to quantify the kinetics and thermodynamics of network rearrangements, enabling a mechanistic understanding including preferred reaction pathways for dynamic covalent chemistries. We applied this approach to corroborate the "loose-bolt"postulate for the reaction mechanism in Wulff-type boronic acids. These findings, grounded in molecular principles, advance our understanding and rational design of dynamic polymer networks, improving our ability to predict, design, and leverage their unique properties for future applications.

METAL NANOPARTICLE SURFACE LIGAND REPLACEMENT METHOD

-

Page/Page column 18, (2018/06/06)

The invention relates to a method of producing inorganic nanoparticles with a polar surface, a) providing an inorganic nanoparticle with a coordinated organic ligand to the nanoparticles surface, b) providing a replacement salt comprising a replacement io

Radiofluorinated N-Octanoyl Dopamine ([18F]F-NOD) as a Tool to Study Tissue Distribution and Elimination of NOD in Vitro and in Vivo

Pretze, Marc,Pallavi, Prama,Roscher, Mareike,Klotz, Sarah,Caballero, Julio,Binzen, Uta,Greffrath, Wolfgang,Treede, Rolf-Detlef,Harmsen, Martin C.,Hafner, Mathias,Yard, Benito,W?ngler, Carmen,W?ngler, Bj?rn

, p. 9855 - 9865 (2016/11/19)

To mitigate pretransplantation injury in organs of potential donors, N-octanoyl dopamine (NOD) treatment might be considered as it does not affect hemodynamic parameters in braindead (BD) donors. To better assess optimal NOD concentrations for donor treat

Nitration of catecholamines with nitrogen oxides in mild conditions: A hypothesis for the reactivity of NO in physiological systems

De La Breteche, Marie-Laure

, p. 7231 - 7232 (2007/10/02)

Dopamine, norepinephrine and epinephrine react at room temperature, in acetate buffer (3pH6) with sodium nitrite or in non-deaerated phosphate buffer (pH 7.4) with NO. The corresponding 6-nitro derivatives are formed.

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