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5,6-dibromoisoindoline-1,3-dione, also known as NSC 527179, is an organic chemical compound derived from the heterocyclic compound isoindoline. 5,6-dibroMoisoindoline-1,3-dione features two bromine atoms, as indicated by the dibromo prefix, and possesses two ketone functional groups at the 1 and 3 positions of the isoindoline ring system, denoted by the 1,3-dione suffix. Derivatives of isoindoline have demonstrated potential in medicinal chemistry, with some showing antitumor, anti-inflammatory, or antidepressant activities.

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  • 247045-28-9 Structure
  • Basic information

    1. Product Name: 5,6-dibroMoisoindoline-1,3-dione
    2. Synonyms: 5,6-dibroMoisoindoline-1,3-dione;5,6-dibromoisoindole-1,3(2H)-dione
    3. CAS NO:247045-28-9
    4. Molecular Formula: C8H3Br2NO2
    5. Molecular Weight: 304.92292
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 247045-28-9.mol
  • Chemical Properties

    1. Melting Point: 235-240 °C(Solv: ethanol (64-17-5); water (7732-18-5))
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 2.179±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 8.29±0.20(Predicted)
    10. CAS DataBase Reference: 5,6-dibroMoisoindoline-1,3-dione(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5,6-dibroMoisoindoline-1,3-dione(247045-28-9)
    12. EPA Substance Registry System: 5,6-dibroMoisoindoline-1,3-dione(247045-28-9)
  • 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: 247045-28-9(Hazardous Substances Data)

247045-28-9 Usage

Uses

Used in Pharmaceutical Industry:
5,6-dibromoisoindoline-1,3-dione is used as a potential active pharmaceutical ingredient for its possible antitumor, anti-inflammatory, or antidepressant properties. 5,6-dibroMoisoindoline-1,3-dione's unique structure and functional groups may contribute to its therapeutic effects, making it a candidate for further research and development in the pharmaceutical field.
Used in Medicinal Chemistry Research:
5,6-dibromoisoindoline-1,3-dione serves as a valuable compound in medicinal chemistry research, where it can be studied for its potential biological activities and mechanisms of action. Researchers may explore its interactions with various biological targets and evaluate its efficacy and safety in treating specific diseases or conditions.
Used in Drug Development:
As a derivative of isoindoline, 5,6-dibromoisoindoline-1,3-dione may be utilized in drug development processes to create new therapeutic agents. Its unique chemical structure and functional groups can be further modified or optimized to enhance its pharmacological properties, potentially leading to the discovery of novel drugs with improved efficacy and safety profiles.
Used in Chemical Synthesis:
5,6-dibromoisoindoline-1,3-dione can be employed as a starting material or intermediate in the synthesis of other organic compounds, particularly those with potential applications in the pharmaceutical, agrochemical, or materials science industries. Its versatile structure and functional groups make it a valuable building block for the development of new molecules with desired properties.
Used in Analytical Chemistry:
5,6-dibroMoisoindoline-1,3-dione can also be used in analytical chemistry for the development of new methods or techniques for the detection, quantification, or analysis of similar compounds. Its unique structure and properties may provide insights into the behavior of other isoindoline derivatives or related compounds, contributing to the advancement of analytical methodologies.

Check Digit Verification of cas no

The CAS Registry Mumber 247045-28-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,4,7,0,4 and 5 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 247045-28:
(8*2)+(7*4)+(6*7)+(5*0)+(4*4)+(3*5)+(2*2)+(1*8)=129
129 % 10 = 9
So 247045-28-9 is a valid CAS Registry Number.

247045-28-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 5,6-dibromoisoindole-1,3-dione

1.2 Other means of identification

Product number -
Other names 4,5-dibromophthalimide

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:247045-28-9 SDS

247045-28-9Relevant articles and documents

4,5-Dibromo-phthalimide forms two centrosymmetric dimers, one linked by C - H...O hydrogen bonds and one by N - H...O hydrogen bonds

Williamson, Craig,Harrison, William T. A.

, (2007)

In the title compound [also called 5,6-dibromo-isoindole-1,3(2H)-dione], C8H3Br2NO2, there are two planar mol-ecules in the asymmetric unit. They both form inversion dimers, one via N - H...O links and one via short near-linear C - H...O links. The dimers

Rectangular-shaped expanded phthalocyanines with two central metal atoms

Matsushita, Osamu,Derkacheva, Valentina M.,Muranaka, Atsuya,Shimizu, Soji,Uchiyama, Masanobu,Luk'yanets, Evgeny A.,Kobayashi, Nagao

experimental part, p. 3411 - 3418 (2012/04/10)

Expanded phthalocyanine (Pc) congeners with two Mo or W central metal ions and four isoindole ring moieties have been synthesized using normal Pc formation conditions in the presence of urea. The products have been characterized by electrochemistry; mass

Synthesis of ladder-type oligomers incorporating phthalocyanine units

Hanack, Michael,Stihler, Patrick

, p. 303 - 311 (2007/10/03)

The condensation of substituted diiminoisoindolines with alkyl- substituted 1,3,3-trichloroisoindolines results in the formation of the highly soluble metal-free phthalocyanines 9, 15. By the same methodology, metal-containing phthalocyanines such as 16,

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