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CAS

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2-Amino-4-iodobenzoic acid is a chemical compound with the molecular formula C7H6INO2, featuring both amino and carboxylic acid functional groups. It is an organic compound that has garnered interest due to its potential applications in various fields, including pharmaceuticals, dyes, and agrochemicals.

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  • 20776-54-9 Structure
  • Basic information

    1. Product Name: 2-AMINO-4-IODOBENZOIC ACID
    2. Synonyms: 2-AMINO-4-IODOBENZOIC ACID
    3. CAS NO:20776-54-9
    4. Molecular Formula: C7H6INO2
    5. Molecular Weight: 263.03251
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 20776-54-9.mol
  • Chemical Properties

    1. Melting Point: 208 °C (decomp)(Solv: ethanol (64-17-5))
    2. Boiling Point: 377.02 °C at 760 mmHg
    3. Flash Point: 181.815 °C
    4. Appearance: /
    5. Density: 2.082 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.728
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    9. Solubility: N/A
    10. PKA: 4.76±0.10(Predicted)
    11. CAS DataBase Reference: 2-AMINO-4-IODOBENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-AMINO-4-IODOBENZOIC ACID(20776-54-9)
    13. EPA Substance Registry System: 2-AMINO-4-IODOBENZOIC ACID(20776-54-9)
  • 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: 20776-54-9(Hazardous Substances Data)

20776-54-9 Usage

Uses

Used in Pharmaceutical Industry:
2-Amino-4-iodobenzoic acid is used as a key intermediate in the synthesis of pharmaceuticals for its potential anti-inflammatory and antiviral properties. It plays a crucial role in the development of new drugs that target a range of health conditions.
Used in Dye Industry:
In the dye industry, 2-Amino-4-iodobenzoic acid is utilized as a building block for creating complex molecules that contribute to the color and properties of various dyes.
Used in Agrochemical Industry:
2-Amino-4-iodobenzoic acid is employed in the agrochemical sector, where it serves as a component in the formulation of products designed to protect crops and enhance agricultural yields.
Used as a Reagent in Organic Synthesis:
2-Amino-4-iodobenzoic acid is used as a reagent in organic synthesis, facilitating the creation of a wide array of chemical compounds for research and industrial applications. Its unique structure allows for versatile reactions and the formation of new molecular entities.

Check Digit Verification of cas no

The CAS Registry Mumber 20776-54-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,7,7 and 6 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 20776-54:
(7*2)+(6*0)+(5*7)+(4*7)+(3*6)+(2*5)+(1*4)=109
109 % 10 = 9
So 20776-54-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H6INO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)

20776-54-9SDS

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-AMINO-4-IODOBENZOIC ACID

1.2 Other means of identification

Product number -
Other names 2-amino-4-iodo-benzoic 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:20776-54-9 SDS

20776-54-9Relevant articles and documents

Selenium-catalyzed intramolecular atom- And redox-economical transformation ofo-nitrotoluenes into anthranilic acids

Jiang, Xuefeng,Li, Yiming,Lin, Zhenyang,Wang, Yuhong,Yang, Tilong

supporting information, p. 2986 - 2991 (2021/05/05)

Anthranilic acids (AAs) are significant basic chemicals used in pharmaceuticals, agrochemicals, dyes, fragrances,etc. Superfluous steps are always involved in obtaining AAs. Herein, we demonstrate a straightforward strategy to transform abundanto-nitrotoluenes into biologically and pharmaceutically significant AAs without any extra reductants, oxidants and protecting groups. Various sensitive groups, such as halogens, sulfide, aldehyde, pyridines, quinolines,etc., can be tolerated in this transformation. A hundred-gram-scale operation is realized efficiently with almost quantitative selenium recycling. Further mechanistic studies and DFT calculations disclosed the proposed atom-exchange processes and the key roles of the selenium species.

Novel quinazoline-containing compound, and intermediate and application thereof

-

, (2021/06/12)

The present invention discloses a quinazoline-containing compound having the formula (IA), (IB) or (IC), or a pharmaceutically acceptable salt or a prodrug molecule thereof. The compound is suitable for use as an Aurora kinase inhibitor and is thus suitable for the treatment of Aurora-mediated diseases characterized by excessive or abnormal cell proliferation, for example, cancer.

Anthranilic acid and derivatives thereof as well as synthesis method and application thereof

-

Paragraph 0095-0097, (2021/09/15)

In the reaction solvent, o-methyl (hetero) aryl nitro compound is taken as a reaction raw material and is used for water. The anthranilic acid and its derivatives are synthesized by the action of a catalyst, a base and an additive. The synthetic method has the advantages of cheap and easily available raw materials, simple reaction operation, high yield and excellent functional group tolerance, and provides a simple and efficient method for synthesizing o-aminobenzoic acid which is widely used in the aspects of dyes, medicines, pesticides, spices and the like. The invention further discloses the anthranilic acid and derivatives and application thereof, and has a wide application prospect.

ANTIBACTERIAL AGENTS

-

Page/Page column 182, (2009/01/24)

Antibacterial compounds of formula (I) are provided, as well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of such compounds.

Design, synthesis and preliminary biological evaluation of acridine compounds as potential agents for a combined targeted chemo-radionuclide therapy approach to melanoma

Desbois, Nicolas,Gardette, Maryline,Papon, Janine,Labarre, Pierre,Maisonial, Aurelie,Auzeloux, Philippe,Lartigue, Claire,Bouchon, Bernadette,Debiton, Eric,Blache, Yves,Chavignon, Olivier,Teulade, Jean-Claude,Maublant, Jean,Madelmont, Jean-Claude,Moins, Nicole,Chezal, Jean-Michel

, p. 7671 - 7690 (2008/12/23)

Various iodo-acridone and acridine carboxamides have been prepared and evaluated as agents for targeted radionuclide and/or chemotherapy for melanoma, due to their structural similarity to benzamides which are known to possess specific affinity for melanin. Three of these carboxamides selected for their in vitro cytotoxic properties were radioiodinated with [125I]NaI at high specific activity. Biodistribution studies carried out in B16F0 murine melanoma tumour-bearing mice highlighted that acridone 8f and acridine 9d, presented high, long-lasting tumour concentrations together with an in vivo kinetic profile favourable to application in targeted radionuclide therapy.

SULFONAMIDE COMPOUNDS

-

Page/Page column 26, (2010/10/20)

Certain sulfonamide compounds are dual CCK1/CCK2 inhibitors useful in the treatment of CCK1/CCK2 mediated diseases.

Kinetics of Iodination of Some Substituted Benzoic Acids by N-Iodosuccinimide

Radhakrishnamurti, P. S.,Panda, B. K.

, p. 770 - 773 (2007/10/02)

Iodination of o-amino-, p-amino-, o-hydroxy-, p-hydroxy, o-acetylamino-, p-acetylamino-, o-methoxy- and p-methoxy-benzoic acids by N-iodosuccinimide (NIS) in mixtures of acetic acid and perchloric acid follows first order kinetics with respect to the halo

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