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5-Nitroisoindoline is a chemical compound that is widely utilized in scientific and pharmaceutical research. It is classified as a Nitro Compound and has the molecular formula C8H6N2O2. 5-nitroisoindoline is known for its white to pale yellow color and typically appears as a crystalline powder. The presence of a nitro group in its structure allows it to participate in specific chemical reactions, which makes it a valuable resource for the synthesis of various organic substances. However, due to its potential health hazards, such as causing skin and eye irritation and respiratory system harm if inhaled, it is crucial to handle this chemical with care and follow safety measures, including the use of protective clothing, gloves, and eye protection.

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  • 46053-72-9 Structure
  • Basic information

    1. Product Name: 5-NITROISOINDOLINE
    2. Synonyms: 5-NITROISOINDOLINE;5-Nitro-2,3-dihydro-1H-isoindole;2,3-dihydro-5-nitro-1H-Isoindole;5-NITROISOINDOL;1H-Isoindole, 2,3-dihydro-5-nitro-
    3. CAS NO:46053-72-9
    4. Molecular Formula: C8H8N2O2
    5. Molecular Weight: 164.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 46053-72-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 293℃
    3. Flash Point: 131℃
    4. Appearance: /
    5. Density: 1.298
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 7.56±0.20(Predicted)
    10. CAS DataBase Reference: 5-NITROISOINDOLINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-NITROISOINDOLINE(46053-72-9)
    12. EPA Substance Registry System: 5-NITROISOINDOLINE(46053-72-9)
  • 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: 46053-72-9(Hazardous Substances Data)

46053-72-9 Usage

Uses

Used in Scientific Research:
5-Nitroisoindoline is used as a research chemical for [application reason], such as studying its chemical properties and potential applications in various fields.
Used in Pharmaceutical Research:
5-Nitroisoindoline is used as a pharmaceutical intermediate for [application reason], including the synthesis of new drug candidates and the development of novel therapeutic agents.
Used in Organic Synthesis:
5-Nitroisoindoline is used as a key building block for [application reason], enabling the creation of complex organic molecules and contributing to the advancement of organic chemistry.
Used in Material Science:
5-Nitroisoindoline is used as a component in the development of new materials for [application reason], such as in the synthesis of advanced polymers and composites with unique properties.
Used in Chemical Education:
5-Nitroisoindoline is used as an educational tool for [application reason], helping students understand the principles of organic chemistry and the role of nitro compounds in chemical reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 46053-72-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,6,0,5 and 3 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 46053-72:
(7*4)+(6*6)+(5*0)+(4*5)+(3*3)+(2*7)+(1*2)=109
109 % 10 = 9
So 46053-72-9 is a valid CAS Registry Number.
InChI:InChI=1S/C8H8N2O2/c11-10(12)8-2-1-6-4-9-5-7(6)3-8/h1-3,9H,4-5H2

46053-72-9SDS

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 5-nitro-2,3-dihydro-1H-isoindole

1.2 Other means of identification

Product number -
Other names 5-nitro-isoindoline

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:46053-72-9 SDS

46053-72-9Relevant articles and documents

Isoindoline scaffold-based dual inhibitors of HDAC6 and HSP90 suppressing the growth of lung cancer in vitro and in vivo

Ojha, Ritu,Nepali, Kunal,Chen, Chun-Han,Chuang, Kuo-Hsiang,Wu, Tung-Yun,Lin, Tony Eight,Hsu, Kai-Cheng,Chao, Min-Wu,Lai, Mei-Jung,Lin, Mei-Hsiang,Huang, Han-Li,Chang, Chao-Di,Pan, Shiow-Lin,Chen, Mei-Chuan,Liou, Jing-Ping

, (2020/02/13)

This study reports the synthesis of a series of 2-aroylisoindoline hydroxamic acids employing N-benzyl, long alkyl chain and acrylamide units as diverse linkers. In-vitro studies led to the identification of N-benzyl linker-bearing compound (10) and long

THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF

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Paragraph 0186-0188, (2020/08/09)

The present invention relates to a class of thienodiazepine derivatives and an application thereof in the preparation of a drug for the treatment of diseases associated with bromodomain and extra-terminal (BET) Bromodomain inhibitors. Specifically, the present invention relates to compounds represented by formulas (I) and (II), as well as pharmaceutically acceptable salts thereof.

COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE

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Page/Page column 7, (2019/10/19)

This disclosure concerns compounds and a method for modulating the activity of calcium ion channels, including Ca2+-induced (or Ca2+-activated) calcium release channels and conformationally coupled calcium release channels such as ryanodine receptors. Some of the compounds have a structure according to formula I, or a stereoisomer, tautomer, hydrate, solvate, prodrug, or pharmaceutically acceptable salt thereof.

HETEROARYL COMPOUNDS AND USES THEREOF

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, (2016/06/28)

The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same. It has now been found that compounds of this invention, and pharmaceutically acceptable compositions thereof, are effective as inhibitors of one or more protein kinases. Such compounds have general formula I or a pharmaceutically acceptable salt thereof, wherein Ring A, Ring B, W, Ry, R3 and R4 are as defined herein.

PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE

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Page/Page column 330, (2011/11/30)

Pyridone and aza-pyridone compounds of Formula I are provided, including stereoisomers, tautomers, and pharmaceutically acceptable salts thereof, useful for inhibiting Btk kinase, and for treating immune disorders such as inflammation mediated by Btk kinase. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, and treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

THERAPEUTIC ANTIVIRAL PEPTIDES

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, (2010/06/11)

Disclosed herein are compounds represented by a formula: Therapeutic methods, compositions, medicaments, and dosage forms related thereto are also disclosed.

PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES

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Page/Page column 247; 248, (2010/12/29)

This application relates to compounds of the general Formula I and salts thereof, wherein X, R1A, R1B, R2, R3, R4, and R5 are as defined herein. The application also relates to compositions and methods of treatment of hyperproliferative diseases or disorders.

Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 2: Isoindoline containing inhibitors

Van Goethem, Sebastiaan,Van der Veken, Pieter,Dubois, Veronique,Soroka, Anna,Lambeir, Anne-Marie,Chen, Xin,Haemers, Achiel,Scharpe, Simon,De Meester, Ingrid,Augustyns, Koen

scheme or table, p. 4159 - 4162 (2009/05/07)

To obtain selective and potent inhibitors of dipeptidyl peptidases 8 and 9, we synthesized a series of substituted isoindolines as modified analogs of allo-Ile-isoindoline, the reference DPP8/9 inhibitor. The influence of phenyl substituents and different P2 residues on the inhibitors' affinity toward other DPPs and more specifically, their potential to discriminate between DPP8 and DPP9 will be discussed. Within this series compound 8j was shown to be a potent and selective inhibitor of DPP8/9 with low activity toward DPP II.

COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY

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Page/Page column 118, (2008/12/05)

The invention encompasses compounds having formula I and the compositions and methods using these compounds in the treatment of conditions in which modulation of the JAK pathway or inhibition of JAK kinases are therapeutically useful.

CETP INHIBITORS

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Page/Page column 51-52, (2008/06/13)

Compounds having the structure of Formula (I), including pharmaceutically acceptable salts of the compounds, are CETP inhibitors and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. In the compounds of Formula (I), B is a cyclic group other than phenyl, and B has a cyclic substituent at a position that is ortho to the position at which B is connected to the remainder of the structure of Formula (I). The 5-membered ring of Formula (I) has a second cyclic substituent in addition to B.

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