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4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde is a chemical compound characterized by its molecular formula C7H3BrFNO3. It is a yellow solid with a molecular weight of 238.01 g/mol. 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde is classified as an aldehyde and features functional groups such as bromine, fluorine, and nitro. Its unique structure and properties make it a valuable component in various chemical applications.

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  • 679839-39-5 Structure
  • Basic information

    1. Product Name: 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde
    2. Synonyms: 4-BroMo-2-fluoro-5-nitrobenzaldehyde;Benzaldehyde, 4-bromo-2-fluoro-5-nitro-
    3. CAS NO:679839-39-5
    4. Molecular Formula: C7H3BrFNO3
    5. Molecular Weight: 248.0060232
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 679839-39-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 289.5±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.860±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde(679839-39-5)
    11. EPA Substance Registry System: 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde(679839-39-5)
  • 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: 679839-39-5(Hazardous Substances Data)

679839-39-5 Usage

Uses

Used in Organic Synthesis:
4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde is utilized as a building block in organic synthesis for the preparation of a range of pharmaceuticals and agrochemicals. Its versatile functional groups allow for multiple synthetic pathways, making it a key intermediate in the creation of complex organic molecules.
Used in Research and Development:
In the realm of research and development, 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde serves as a reagent for the synthesis of new chemical compounds. Its distinct properties facilitate the exploration of novel chemical reactions and the discovery of innovative materials.
Used in Medicinal Chemistry:
4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde is employed in medicinal chemistry for the development of new drugs and therapeutic agents. Its unique structure and functional groups contribute to the design of potential pharmaceuticals, offering new avenues for treating various diseases and conditions.
Used in Pharmaceutical Industry:
Within the pharmaceutical industry, 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde is used as a key intermediate for the synthesis of active pharmaceutical ingredients. Its presence in the molecular structure of these compounds can influence their pharmacological properties, such as potency, selectivity, and bioavailability.
Used in Agrochemical Industry:
In the agrochemical industry, 4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde is used as a precursor in the synthesis of various agrochemicals, including pesticides and herbicides. Its role in these applications is crucial for the development of effective crop protection products.

Check Digit Verification of cas no

The CAS Registry Mumber 679839-39-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,7,9,8,3 and 9 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 679839-39:
(8*6)+(7*7)+(6*9)+(5*8)+(4*3)+(3*9)+(2*3)+(1*9)=245
245 % 10 = 5
So 679839-39-5 is a valid CAS Registry Number.

679839-39-5SDS

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 4-Bromo-2-fluoro-5-nitrobenzaldehyde

1.2 Other means of identification

Product number -
Other names 4-bromo-2-fluoro-5-nitrobenzaldehyde

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:679839-39-5 SDS

679839-39-5Relevant articles and documents

COMPOUND SERVING AS IRAK INHIBITOR

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Paragraph 0321-0322, (2021/10/07)

The present disclosure relates a compound as an IRAK inhibitor. Specifically, the present disclosure provides a compound of formula I, or a cis-trans isomer, an optical isomer, a racemate, a pharmaceutically acceptable salt, a prodrug, a deuterated derivative thereof, a hydrate or a solvate thereof. The compounds disclosed herein have potent inhibitory effects on IRAK and thus have therapeutic effect on IRAK-related diseases.

An Alternative Indazole Synthesis for Merestinib

Lu, Yu,Cole, Kevin P.,Fennell, Jared W.,Maloney, Todd D.,Mitchell, David,Subbiah, Ramesh,Ramadas, Balakumar

, p. 409 - 419 (2018/03/22)

A new synthesis of a key indazole-containing building block for the MET kinase inhibitor merestinib was designed and demonstrated. Crucial to the successful construction of the challenging indazole is an SNAr reaction, which forges the heterocy

PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS

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Page/Page column 196; 197, (2017/05/10)

Disclosed in the present application is a compound of formula (I) as defined herein as well as a pharmaceutical composition comprising said compound. Further disclosed in the present application is the use of such pharmaceutical compositions for treating diseases, namely inter alia for use in the treatment of cancer, metabolic, inflammatory, autoimmune and viral diseases. The compounds disclosed herein are inhibitors of MNK1 and/or MNK2 kinases.

Indazole Compounds as IRAK4 Inhibitors

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Paragraph 0237; 0238, (2016/11/28)

The present invention provides indazole compounds of formula (I), which are therapeutically useful as kinase inhibitors, particularly IRAK4 inhibitors, wherein Z1, Z2, R1, R2, R3, ‘m’ and ‘n’ have the meanings given in the specification, and pharmaceutically acceptable salts or stereoisomers thereof that are useful in the treatment and prevention of diseases or disorders, in particular their use in diseases or disorders mediated by kinase enzyme, particularly IRAK4 enzyme. The present invention also provides pharmaceutical compositions comprising at least one of the compounds of the compound of formula (I) together with a pharmaceutically acceptable carrier, diluent or excipient.

HETEROCYCLIC DERIVATIVES AND USE THEREOF

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Page/Page column 26, (2016/06/28)

A heterocyclic derivative represented by formula (I), or a pharmaceutically acceptable salt or a stereoisomer thereof, which has an inhibitory effect on the activation of STAT3 protein, and is useful for the prevention or treatment of diseases associated

Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors

Close, Adam J.,Jones, Rhiannon N.,Ocasio, Cory A.,Kemmitt, Paul,Roe, S. Mark,Spencer, John

, p. 8246 - 8252 (2016/09/09)

Nitration of three regioisomers of bromo-fluorobenzaldehyde proceeds regioselectively, notably with H2SO4/HNO3 at 0 °C. The thereby synthesized tetrasubstituted aromatics, endowed with orthogonal substituents, can be elabo

INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS

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Page/Page column 43; 44, (2015/07/23)

The present invention provides indazole compound of formula (I), which are therapeutically useful as kinase inhibitor, particularly IRAK4 inhibitors. wherein Z1, Z2, R1, R2, R3, 'm' and 'n' have the meanings given in the specification, and pharmaceutically acceptable salts or stereoisomers thereof that are useful in the treatment and prevention of diseases or disorder, in particular their use in diseases or disorder mediated by kinase enzyme, particularly IRAK4 enzyme. The present invention also provides pharmaceutical composition comprising at least one of the compounds of compound of formula (I) together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

Indazole-based potent and cell-active Mps1 kinase inhibitors: Rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)

Kusakabe, Ken-Ichi,Ide, Nobuyuki,Daigo, Yataro,Tachibana, Yuki,Itoh, Takeshi,Yamamoto, Takahiko,Hashizume, Hiroshi,Hato, Yoshio,Higashino, Kenichi,Okano, Yousuke,Sato, Yuji,Inoue, Makiko,Iguchi, Motofumi,Kanazawa, Takayuki,Ishioka, Yukichi,Dohi, Keiji,Kido, Yasuto,Sakamoto, Shingo,Yasuo, Kazuya,Maeda, Masahiro,Higaki, Masayo,Ueda, Kazuo,Yoshizawa, Hidenori,Baba, Yoshiyasu,Shiota, Takeshi,Murai, Hitoshi,Nakamura, Yusuke

, p. 4343 - 4356 (2013/07/19)

Monopolar spindle 1 (Mps1) is essential for centrosome duplication, the spindle assembly check point, and the maintenance of chromosomal instability. Mps1 is highly expressed in cancer cells, and its expression levels correlate with the histological grades of cancers. Thus, selective Mps1 inhibitors offer an attractive opportunity for the development of novel cancer therapies. To design novel Mps1 inhibitors, we utilized the pan-kinase inhibitor anthrapyrazolone (4, SP600125) and its crystal structure bound to JNK1. Our design efforts led to the identification of indazole-based lead 6 with an Mps1 IC50 value of 498 nM. Optimization of the 3- and 6-positions on the indazole core of 6 resulted in 23c with improved Mps1 activity (IC50 = 3.06 nM). Finally, application of structure-based design using the X-ray structure of 23d bound to Mps1 culminated in the discovery of 32a and 32b with improved potency for cellular Mps1 and A549 lung cancer cells. Moreover, 32a and 32b exhibited reasonable selectivities over 120 and 166 kinases, respectively.

TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS

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Page 48, (2008/06/13)

The invention includes tetrahydroquinoline and related compounds of formula (I), and pharmaceutical compositions thereof, that exhibit useful antibacterial activity against a wide range of human and veterinary pathogens.

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