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3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is a chemical compound that belongs to the class of organic compounds known as pyrrolopyridines. These are polycyclic aromatic compounds that feature a pyrrolopyridine moiety, which is a fusion of a pyrrole ring with a pyridine ring. Although its molecular weight is unspecified, the compound is not commonly found in the human body, and its characteristics and effects are largely unexplored in the available literature.

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  • 113423-51-1 Structure
  • Basic information

    1. Product Name: 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
    2. Synonyms: 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
    3. CAS NO:113423-51-1
    4. Molecular Formula: C7H4Br2N2O
    5. Molecular Weight: 291.93
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 113423-51-1.mol
  • Chemical Properties

    1. Melting Point: 198-199 °C(Solv: ethyl acetate (141-78-6))
    2. Boiling Point: 382.547°C at 760 mmHg
    3. Flash Point: 185.158°C
    4. Appearance: /
    5. Density: 2.221g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.701
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: -0.75±0.40(Predicted)
    11. CAS DataBase Reference: 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one(113423-51-1)
    13. EPA Substance Registry System: 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one(113423-51-1)
  • 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: 113423-51-1(Hazardous Substances Data)

113423-51-1 Usage

Uses

Used in Pharmaceutical Industry:
3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is used as a potential pharmaceutical compound for its possible applications in drug development. Its unique structure may offer opportunities for the creation of new therapeutic agents, although further research is needed to understand its properties and effects.
Used in Chemical Industry:
In the chemical industry, 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one may serve as an intermediate or a building block in the synthesis of more complex molecules. Its reactivity and potential to form new chemical bonds could be harnessed in the production of specialty chemicals or materials.
Used in Materials Science:
3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one could be explored for its potential applications in materials science, where its structural properties might contribute to the development of new materials with unique characteristics. This could include applications in areas such as electronics, coatings, or advanced materials research.

Check Digit Verification of cas no

The CAS Registry Mumber 113423-51-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,4,2 and 3 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 113423-51:
(8*1)+(7*1)+(6*3)+(5*4)+(4*2)+(3*3)+(2*5)+(1*1)=81
81 % 10 = 1
So 113423-51-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H4Br2N2O/c8-7(9)4-2-1-3-10-5(4)11-6(7)12/h1-3H,(H,10,11,12)

113423-51-1SDS

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 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

1.2 Other means of identification

Product number -
Other names 3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one

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:113423-51-1 SDS

113423-51-1Relevant articles and documents

Ambipolar organic field-effect transistors based on N-Unsubstituted thienoisoindigo derivatives

Ashizawa, Minoru,Hasegawa, Tsukasa,Hikima, Takaaki,Kawamoto, Tadashi,Kohara, Akihiro,Masunaga, Hiroyasu,Matsumoto, Hidetoshi,Mori, Takehiko,Ohta, Noboru,Sugiyama, Haruki,Uekusa, Hidehiro,Yoo, Dongho

, (2020)

To investigate a hybrid of isoindigo and thienoisoindigo (TIIG), a new series of unsymmetrical TIIG analogs, in which one of the outer thiophene rings of TIIG is replaced by benzene (CS) or pyridine (NS) are prepared. In addition, the π-skeleton extension

Synthesis and biological evaluation of 2-indolinone derivatives as potential antitumor agents

Zou, Hongbin,Zhang, Liang,Ouyang, Jingfeng,Giulianotti, Marc A.,Yu, Yongping

, p. 5970 - 5977 (2011)

Three series of 3-substituted-indolin-2-ones and azaindolin-2-ones have been synthesized and showed potential antiproliferative activity to cancer cell lines. The inhibition activities on VEGF-induced VEGFR phosphorylation were observed for selected 2-indolinones. Among the compounds synthesized, 5-fluoroindolin-2-one derivative 23 with a pyridone unit showed the most significant enzymatic and cellular activities. Flow cytometric analysis indicates that 23 plays a role in suppressing HCT-116 cell proliferation via G1 phase arrest and apoptosis in a dose dependent manner. The binding mode of compound 23 complexed with VEGFR-2 was predicted using FlexX algorithm. Described here are the chemistry and biological testing for these series which will guide the design and optimization of novel 2-indolione antitumor agents.

CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS

-

Page/Page column 83-84, (2016/02/02)

There are described cydohexyl amide derivatives useful as corticotropin releasing factor (CRF) receptor antagonists

Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents

-

, (2008/06/13)

The present invention concerns antiviral compounds, their methods of preparation and their compositions, and use in the treatment of viral infections. More particularly, the invention provides heterocyclic substituted 2-methylbenzimidazole derivatives for the treatment of respiratory syncytial virus infection.

AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES

-

Page/Page column 22-23, (2008/06/13)

The present invention relates to novel 5-substituted 7-azaindole compounds of formula (I), their use in the inhibition of c-Jun N-terminal kinases, their use in medicine and particularly in the prevention and/or treatment of neurodegenerative disorders re

7-AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS

-

Page/Page column 31-32, (2008/06/13)

The present invention relates to novel 3,5-substituted 7-azaindole compounds of formula (I), their use in the inhibition of c-Jun N-terminal kinases, their use in medecine and particularly in the prevention and/or treatment of neurodegenerative disorders

Substituted aza-oxindole derivatives

-

, (2008/06/13)

Substituted aza-oxindole derivatives useful as cyclin dependent kinase 11 inhibitors, for preventing/reducing the severity of epithelial cytotoxicity side-effects (e.g., alopecia, plantar-palmar syndrome, mucositis) induced by chemoptherapy and/or radiati

Heterocyclic substituted 2-methyl-benzimidazole antiviral agents

-

, (2008/06/13)

The present invention concerns antiviral compounds, their methods of preparation and their compositions, and use in the treatment of viral infections. More particularly, the invention provides heterocyclic substituted 2-methylbenzimidazole derivatives for the treatment of respiratory syncytial virus infection.

3-(anilinomethylene) oxindoles

-

Page column 71, (2010/02/04)

The present invention relates generally to novel amine substituted oxindole compounds and compositions. Such compounds and compositions have utility as pharmacological agents in treating diseases or conditions alleviated by the inhibition or antagonism of

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