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2-Bromo-4-fluoro-5-nitrobenzoic Acid is a halogenated derivative of benzoic acid, characterized by the presence of a bromine atom, a fluorine atom, and a nitro group in its molecular structure. This unique composition endows it with versatile chemical properties, making it a valuable intermediate in the synthesis of various pharmaceutical compounds.

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  • 1036389-83-9 Structure
  • Basic information

    1. Product Name: 2-BroMo-4-fluoro-5-nitrobenzoic Acid
    2. Synonyms: 2-BroMo-4-fluoro-5-nitrobenzoic Acid
    3. CAS NO:1036389-83-9
    4. Molecular Formula: C7H3BrFNO4
    5. Molecular Weight: 264.0054232
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1036389-83-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 379.8±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.967±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 2.25±0.12(Predicted)
    10. CAS DataBase Reference: 2-BroMo-4-fluoro-5-nitrobenzoic Acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-BroMo-4-fluoro-5-nitrobenzoic Acid(1036389-83-9)
    12. EPA Substance Registry System: 2-BroMo-4-fluoro-5-nitrobenzoic Acid(1036389-83-9)
  • 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: 1036389-83-9(Hazardous Substances Data)

1036389-83-9 Usage

Uses

Used in Pharmaceutical Industry:
2-Bromo-4-fluoro-5-nitrobenzoic Acid is used as a key intermediate in the synthesis of pharmaceutical compounds for various therapeutic applications. Its unique structure allows for the development of novel drugs with improved efficacy and selectivity.
Used in Synthesis of Anticoagulants:
In the pharmaceutical industry, 2-Bromo-4-fluoro-5-nitrobenzoic Acid is utilized as a precursor for the synthesis of amino acid derivatives that act as anticoagulants. These anticoagulants are essential in the prevention and treatment of blood clot-related disorders, such as deep vein thrombosis, pulmonary embolism, and stroke.
Additionally, the unique properties of 2-Bromo-4-fluoro-5-nitrobenzoic Acid may also contribute to the development of other pharmaceutical compounds with diverse applications, such as anti-inflammatory agents, antimicrobials, and antiviral drugs. Its potential use in these areas highlights the importance of this compound as a versatile building block in medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 1036389-83-9 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,3,6,3,8 and 9 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1036389-83:
(9*1)+(8*0)+(7*3)+(6*6)+(5*3)+(4*8)+(3*9)+(2*8)+(1*3)=159
159 % 10 = 9
So 1036389-83-9 is a valid CAS Registry Number.

1036389-83-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-4-fluoro-5-nitro-benzoic acid

1.2 Other means of identification

Product number -
Other names 2-Bromo-4-fluoro-5-nitrobenzoic Acid

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:1036389-83-9 SDS

1036389-83-9Upstream product

1036389-83-9Relevant articles and documents

SUBSTITUTED TRICYCLIC COMPOUNDS

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Page/Page column 304, (2021/07/02)

Disclosed are compounds of the general formula (I), its tautomeric form, its stereoisomer, its pharmaceutically acceptable salt, its polymorph, or solvate thereof, wherein, ring A, ring B, R1 to R4, and n are as defined herein, for use as SOS1 inhibitors in the treatment of proliferative, infectious and RASopathy diseases or disorders. Also disclosed are methods of synthesizing the compound of formula I, pharmaceutical compositions containing the compound of formula I, method of treatment of proliferative, infectious and RASopathy diseases or disorder, for example, a cancer, by administering the said compound and combinations of the compound of formula I with other active ingredients.

IRAK DEGRADERS AND USES THEREOF

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Paragraph 00920; 002601-002603; 003147-003149, (2021/01/23)

The present invention provides compounds, compositions thereof, and methods of using the same. The compounds include an IRAK binding moiety capable of binding to IRAK4 and a degradation inducing moiety (DIM). The DIM could be DTM a ligase binding moiety (LBM) or lysine mimetic. The compounds could be useful as IRAK protein kinase inhibitors and applied to IRAK mediated disorders.

CARBOXYLIC ACID AROMATIC 1,2-CYCLOPROPYLAMIDES

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Paragraph 0861-0864, (2019/06/20)

The present invention relates to carboxylic acid aromatic 1,2-cyclopropylamides of general formula (I) as described and defined herein, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neurogenic disorder, as a sole agent or in combination with other active ingredients.

ASK1 INHIBITOR COMPOUNDS AND USES THEREOF

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Paragraph 0444; 0445, (2018/11/02)

Described herein are compounds, including pharmaceutically acceptable salts, solvates, metabolites, prodrugs thereof, methods of making such compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat non

cGAS ANTAGONIST COMPOUNDS

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Paragraph 0451, (2017/11/06)

Disclosed are novel compounds of Formula (I) that are cGAS antagonists, methods of preparation of the compounds, pharmaceutical compositions comprising the compounds, and their use in medical therapy.

Sulfo-imidazole-diketone and imidazole-diketone compound and applications thereof

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Paragraph 0097 - 0098, (2017/01/02)

The invention discloses a sulfo-imidazole-diketone and imidazole-diketone compound and applications thereof. The invention provides the formula (I) compound (please see the specification) or pharmaceutical salt, solvate, prodrug, stereoisomer, tautomer and metabolite thereof, wherein X, Y, Z, R1, R2, R3 and A are defined in the formula. The invention further provides a preparing method for the compound and applications of the compound serving as an androgen receptor antagonist to treating diseases related to an androgen receptor, such as prostatic cancer, prostatic hyperplasia, acne, feather-loss disorder, hair hyperplasia, breast cancer and poor male sexual function.

Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors

Wurtz, Nicholas R.,Parkhurst, Brandon L.,Jiang, Wen,DeLucca, Indawati,Zhang, Xiaojun,Ladziata, Vladimir,Cheney, Daniel L.,Bozarth, Jeffrey R.,Rendina, Alan R.,Wei, Anzhi,Luettgen, Joseph M.,Wu, Yiming,Wong, Pancras C.,Seiffert, Dietmar A.,Wexler, Ruth R.,Priestley, E. Scott

supporting information, p. 1077 - 1081 (2016/12/18)

Inhibitors of Factor VIIa (FVIIa), a serine protease in the clotting cascade, have shown strong antithrombotic efficacy in preclinical thrombosis models with minimal bleeding liabilities. Discovery of potent, orally active FVIIa inhibitors has been largely unsuccessful because known chemotypes have required a highly basic group in the S1 binding pocket for high affinity. A recently reported fragment screening effort resulted in the discovery of a neutral heterocycle, 7-chloro-3,4-dihydroisoquinolin-1(2H)-one, that binds in the S1 pocket of FVIIa and can be incorporated into a phenylglycine FVIIa inhibitor. Optimization of this P1 binding group led to the first series of neutral, permeable FVIIa inhibitors with low nanomolar potency.

MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS

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Page/Page column 86-87, (2008/12/07)

The present invention relates generally to novel macrocycles of Formula (I) or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein the variables A, B, C, D, L, M, W, Z1, Z2, Z3, Z4, R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.

BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS

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Page/Page column 136-137, (2008/12/07)

The present invention provides novel bicyclic lactams derivatives, and analogues thereof, of Formula (I): or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate, or prodrug thereof, wherein the variables A, B, C, W, Y, Z1, Z2, Z3, Z4, R8, and R9 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.

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