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2-Nitro-3-hydroxy benzonitrile, with the molecular formula C7H4N2O3, is an organic compound that falls under the category of aromatic hydrocarbons. This pale yellow crystalline solid is recognized for its strong nitro and hydroxyl groups, which contribute to its significance as a reagent in various chemical reactions. Its potential applications in the treatment of diseases and disorders further establish its value in the realms of medicine and pharmaceutical research.

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  • 129298-23-3 Structure
  • Basic information

    1. Product Name: 2-Nitro-3-hydroxy benzonitrile
    2. Synonyms: 2-Nitro-3-hydroxy benzonitrile;3-Hydroxy-2-nitro-benzonitrile
    3. CAS NO:129298-23-3
    4. Molecular Formula: C7H4N2O3
    5. Molecular Weight: 164.11826
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 129298-23-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-Nitro-3-hydroxy benzonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Nitro-3-hydroxy benzonitrile(129298-23-3)
    11. EPA Substance Registry System: 2-Nitro-3-hydroxy benzonitrile(129298-23-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 129298-23-3(Hazardous Substances Data)

129298-23-3 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
2-Nitro-3-hydroxy benzonitrile is utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals, playing a crucial role in the development of new drugs and agricultural products.
Used in Dye Production:
2-Nitro-3-hydroxy benzonitrile is also employed in the production of dyes, contributing to the coloration and enhancement of various materials and products.
Used in Chemical Research:
2-Nitro-3-hydroxy benzonitrile is used as a valuable chemical in research settings, particularly for exploring its potential applications in treating certain diseases and disorders, thus expanding the horizons of medical and pharmaceutical advancements.

Check Digit Verification of cas no

The CAS Registry Mumber 129298-23-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,2,9 and 8 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 129298-23:
(8*1)+(7*2)+(6*9)+(5*2)+(4*9)+(3*8)+(2*2)+(1*3)=153
153 % 10 = 3
So 129298-23-3 is a valid CAS Registry Number.

129298-23-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Hydroxy-2-nitrobenzonitrile

1.2 Other means of identification

Product number -
Other names 2-nitro-3-hydroxybenzonitrile

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:129298-23-3 SDS

129298-23-3Upstream product

129298-23-3Relevant articles and documents

Evaluation of Potent and Selective Small-Molecule Antagonists for the CXCR2 Chemokine Receptor

Widdowson, Katherine L.,Elliott, John D.,Veber, Daniel F.,Nie, Hong,Rutledge, Melvin C.,McCleland, Brent W.,Xiang, Jia-Ning,Jurewicz, Anthony J.,Hertzberg, Robert P.,Foley, James J.,Griswold, Don E.,Martin, Lenox,Lee, Judithann M.,White, John R.,Sarau, Henry M.

, p. 1319 - 1321 (2004)

N,N′-Diarylureas were prepared, and the structure-activity relationship relative to the CXCR2 receptor was examined. This led to the identification of a potent and highly selective CXCR2 antagonist, which in addition was shown to be functionally active bo

Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles

Pti?ek, Lucija,Hok, Lucija,Grb?i?, Petra,Topi?, Filip,Cetina, Mario,Rissanen, Kari,Paveli?, Sandra Kraljevi?,Vianello, Robert,Racané, Livio

supporting information, p. 2784 - 2793 (2021/04/07)

Unlike the closely related and widely investigated amidino-substituted benzimidazoles and benzothiazoles with a range of demonstrated biological activities, the matching benzoxazole analogues still remain a largely understudied and not systematically evaluated class of compounds. To address this challenge, we utilized the Pinner reaction to convert isomeric cyano-substituted 2-aminophenols into their amidine derivatives, which were isolated as hydrochlorides and/or zwitterions, and whose structure was confirmed by single crystal X-ray diffraction. The key step during the Pinner synthesis of the crucial carboximidate intermediates was characterized through mechanistic DFT calculations, with the obtained kinetic and thermodynamic parameters indicating full agreement with the experimental observations. The obtained amidines were subjected to a condensation reaction with aryl carboxylic acids that allowed the synthesis of a new library of 5- and 6-amidino substituted 2-arylbenzoxazoles. Their antiproliferative features against four human tumour cell lines (SW620, HepG2, CFPAC-1, HeLa) revealed sub-micromolar activities on SW620 for several cyclic amidino 2-naphthyl benzoxazoles, thus demonstrating the usefulness of the proposed synthetic strategy and promoting amidino substituted 2-aminophenols as important building blocks towards biologically active systems.

INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE

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Page/Page column 122, (2011/10/03)

Compounds of formula (I) that are used as hepatitis C virus (HCV) NS5B polymerase inhibitors, the synthesis of such compounds, and the use of such compounds for inhibiting HCV NS5B polymerase activity, for treating or preventing HCV infections and for inhibiting HCV viral replication and /or viral production in a cell-based system. Wherein Z, R30, R40, R50 and R60 of compounds of formula (I) are herein defined as in the description.

Non-steroidal dissociated glucocorticoid agonists: Indoles as A-ring mimetics and function-regulating pharmacophores

Betageri, Raj,Gilmore, Thomas,Kuzmich, Daniel,Kirrane, Thomas M.,Bentzien, J?rg,Wiedenmayer, Dieter,Bekkali, Younes,Regan, John,Berry, Angela,Latli, Bachir,Kukulka, Alison J.,Fadra, Tazmeen N.,Nelson, Richard M.,Goldrick, Susan,Zuvela-Jelaska, Ljiljana,Souza, Don,Pelletier, Josephine,Dinallo, Roger,Panzenbeck, Mark,Torcellini, Carol,Lee, Heewon,Pack, Edward,Harcken, Christian,Nabozny, Gerald,Thomson, David S.

scheme or table, p. 6842 - 6851 (2011/12/22)

We report a SAR of non-steroidal glucocorticoid mimetics that utilize indoles as A-ring mimetics. Detailed SAR is discussed with a focus on improving PR and MR selectivity, GR agonism, and in vitro dissociation profile. SAR analysis led to compound (R)-33 which showed high PR and MR selectivity, potent agonist activity, and reduced transactivation activity in the MMTV and aromatase assays. The compound is equipotent to prednisolone in the LPS-TNF model of inflammation. In mouse CIA, at 30 mg/kg compound (R)-33 inhibited disease progression with an efficacy similar to the 3 mg/kg dose of prednisolone.

PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION

-

Page/Page column 106, (2008/12/07)

There is provided compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, m and n have meanings given in the description, and pharmaceutically acceptable derivatives thereof, which compounds are useful in the treatment of diseases and conditions associated with inflammation.

Substituted hydroxy-anilino derivatives of cyclobutene-3,4-diones

-

, (2008/06/13)

The compound of the formula: STR1 wherein R1 is straight chain alkyl, branched chain alkyl, cycloalkyl, hydroxyalkyl, fluoroalkyl, or polyfluoroalkyl; and one of R2, R3 and R4 is hydroxyl and the other two are,

STUDIES ON THE TWO-PHASE NITRATION OF PHENOLS (part 2)

Thompson, Malcolm J.,Zeegers, Petrus J.

, p. 2661 - 2674 (2007/10/02)

Gas phase Ionization Potentials can be correlated with solution Oxidation Potentials for phenols and used to predict the likelihood of successful nitration using the two-phase procedure.The interaction of steric and electronic effects then determines the sites of nitration by radical recombination of the phenoxy radical and NO2.Nitration of dioxybenzenes may give insights into the nitration mechanism.

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