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Methyl 3-bromo-5-iodobenzoate is a chemical compound with the molecular formula C8H6BrIO2. It is a derivative of benzoic acid, containing both bromine and iodine atoms bonded to the benzene ring. Methyl 3-bromo-5-iodobenzoate is characterized by its unique structure, which makes it a valuable building block in organic synthesis.

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  • 188813-07-2 Structure
  • Basic information

    1. Product Name: Methyl 3-bromo-5-iodobenzoate
    2. Synonyms: 3-BroMo-5-iodobenzoic acid Methyl ester;Benzoic acid,3-broMo-5-iodo-, Methyl ester;Methyl 3-bromo-5-iodobenzoate 97%;Methyl3-bromo-5-iodobenzoate97%;Methyl 5-bromo-3-iodobenzoate;Benzoic acid, 3-bromo-5-iodo-, meth
    3. CAS NO:188813-07-2
    4. Molecular Formula: C8H6BrIO2
    5. Molecular Weight: 340.95
    6. EINECS: N/A
    7. Product Categories: Acids & Esters;Bromine Compounds;Iodine Compounds
    8. Mol File: 188813-07-2.mol
  • Chemical Properties

    1. Melting Point: 62.0-63.0 °C
    2. Boiling Point: 334.458 °C at 760 mmHg
    3. Flash Point: 156.075 °C
    4. Appearance: white crystal powder
    5. Density: 2.059 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.626
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: Methyl 3-bromo-5-iodobenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methyl 3-bromo-5-iodobenzoate(188813-07-2)
    12. EPA Substance Registry System: Methyl 3-bromo-5-iodobenzoate(188813-07-2)
  • 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: 188813-07-2(Hazardous Substances Data)

188813-07-2 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-bromo-5-iodobenzoate is used as a building block for the synthesis of various biologically active molecules. Its unique structure allows for the creation of complex organic compounds with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical field, Methyl 3-bromo-5-iodobenzoate serves as a key intermediate in the synthesis of active ingredients for pesticides and other agrochemical products. Its presence in these compounds can enhance their effectiveness and selectivity.
Used in Research Laboratories:
Methyl 3-bromo-5-iodobenzoate is commonly used in research and development settings for the synthesis of complex organic compounds. Its versatility and reactivity make it a valuable tool for exploring new chemical reactions and pathways.
Used as a Reagent in Chemical Reactions:
Due to its unique structure, Methyl 3-bromo-5-iodobenzoate can be used as a reagent in various chemical reactions. It can facilitate the formation of new bonds and the transformation of other molecules, contributing to the advancement of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 188813-07-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,8,8,1 and 3 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 188813-07:
(8*1)+(7*8)+(6*8)+(5*8)+(4*1)+(3*3)+(2*0)+(1*7)=172
172 % 10 = 2
So 188813-07-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3

188813-07-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-bromo-5-iodobenzoate

1.2 Other means of identification

Product number -
Other names methyl-5-bromo-3-iodobenzoate

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:188813-07-2 SDS

188813-07-2Relevant articles and documents

On-Nanoparticle Gating Units Render an Ordinary Catalyst Substrate- And Site-Selective

Kim, Minju,Dygas, Miroslaw,Sobolev, Yaroslav I.,Beker, Wiktor,Zhuang, Qiang,Klucznik, Tomasz,Ahumada, Guillermo,Ahumada, Juan Carlos,Grzybowski, Bartosz A.

supporting information, p. 1807 - 1815 (2021/02/05)

When an organometallic catalyst is tethered onto a nanoparticle and is embedded in a monolayer of longer ligands terminated in "gating"end-groups, these groups can control the access and orientation of the incoming substrates. In this way, a nonspecific catalyst can become enzyme-like: it can select only certain substrates from substrate mixtures and, quite remarkably, can also preorganize these substrates such that only some of their otherwise equivalent sites react. For a simple, copper-based click reaction catalyst and for gating ligands terminated in charged groups, both substrate- and site-selectivities are on the order of 100, which is all the more notable given the relative simplicity of the on-particle monolayers compared to the intricacy of enzymes' active sites. The strategy of self-assembling macromolecular, on-nanoparticle environments to enhance selectivities of "ordinary"catalysts presented here is extendable to other types of catalysts and gating based on electrostatics, hydrophobicity, and chirality, or the combinations of these effects. Rational design of such systems should be guided by theoretical models we also describe.

BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS

-

Page/Page column 126, (2010/10/03)

There is provided compounds of formula I, wherein Y, ring A, Da, Db, D2, D3, L1, Y1, L2, Y2, L3 and Y3 have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of leukotriene C4 synthase is desired and/or required, and particularly in the treatment of a respiratory disorder and/or inflammation.

BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS

-

Page/Page column 71, (2010/10/03)

There is provided compounds of formula (I), wherein Y, ring A1 D1, D2a, D2b, D3, L1, Y1, L3 and Y3 have meanings given in the description, and pharmaceutica

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

-

, (2008/06/13)

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS

-

, (2008/06/13)

The present invention relates to a class of compounds represented by the Formula Ior a pharmaceutically acceptable salt thereof, whereinA ispharmaceutical compositions thereof and methods of using such compounds and compositions as alphavbeta3 antagonists.

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