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6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER is a chemical compound with the molecular formula C9H6BrN3O2. It is a methyl ester derivative of 6-bromo-1H-benzimidazole-2-carboxylic acid, characterized by its white to off-white solid appearance and solubility in organic solvents such as DMSO and methanol. 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER is recognized for its anti-inflammatory and antifungal properties, positioning it as a promising candidate for pharmaceutical development and research.

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  • 885280-00-2 Structure
  • Basic information

    1. Product Name: 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER
    2. Synonyms: 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER;methyl 5-bromo-1H-benzo[d]imidazole-2-carboxylate;Methyl 6-broMo-1H-benzo[d]iMidazole-2-carboxylate;5-BroMo-1H-benzoiMidazole-2-carboxylic acid Methyl ester;5(6)-Bromo-1H-benzoimidazole-2-carboxylic acid methyl ester;Methyl 6-bromo-1H-benzoimidazole-2-carboxylate;methyl 6-bromo-1H-1,3-benzodiazole-2-carboxylate
    3. CAS NO:885280-00-2
    4. Molecular Formula: C9H7BrN2O2
    5. Molecular Weight: 255.07
    6. EINECS: 604-604-1
    7. Product Categories: N/A
    8. Mol File: 885280-00-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 398.4°C at 760 mmHg
    3. Flash Point: 194.7°C
    4. Appearance: /
    5. Density: 1.709g/cm3
    6. Vapor Pressure: 1.48E-06mmHg at 25°C
    7. Refractive Index: 1.675
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 9.15±0.10(Predicted)
    11. CAS DataBase Reference: 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER(885280-00-2)
    13. EPA Substance Registry System: 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER(885280-00-2)
  • 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: 885280-00-2(Hazardous Substances Data)

885280-00-2 Usage

Uses

Used in Pharmaceutical Research:
6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER is used as a key intermediate in the synthesis of various pharmaceutical compounds due to its unique chemical structure and properties.
Used in Organic Synthesis:
In the field of organic synthesis, 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER serves as a versatile building block for the creation of complex organic molecules, contributing to the advancement of chemical research and development.
Used in Medicinal Development:
6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER is used as a potential candidate for the development of new medications, leveraging its anti-inflammatory and antifungal properties to address various health conditions.
Used in Biochemical Research:
6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER is utilized as a valuable tool in biochemical research, exhibiting inhibitory activity against certain enzymes, which aids in understanding enzyme functions and developing enzyme-targeted therapies.
Used in Enzyme Inhibition Studies:
In enzyme inhibition studies, 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER is employed as an inhibitor to study the effects of enzyme inhibition on biological processes and the development of enzyme-targeted drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 885280-00-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,5,2,8 and 0 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 885280-00:
(8*8)+(7*8)+(6*5)+(5*2)+(4*8)+(3*0)+(2*0)+(1*0)=192
192 % 10 = 2
So 885280-00-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H7BrN2O2/c1-14-9(13)8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H,11,12)

885280-00-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 6-bromo-1H-benzimidazole-2-carboxylate

1.2 Other means of identification

Product number -
Other names 6-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER

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:885280-00-2 SDS

885280-00-2Downstream Products

885280-00-2Relevant articles and documents

2-Arylindoles as gonadotropin releasing hormone (GnRH) antagonists: Optimization of the tryptamine side chain

Young, Jonathan R.,Huang, Song X.,Walsh, Thomas F.,Wyvratt Jr., Matthew J.,Yang, Yi Tien,Yudkovitz, Joel B.,Cui, Jisong,Mount, George R.,Ren, Rena Ning,Wu, Tsuei-Ju,Shen, Xiaolan,Lyons, Kathryn A.,Mao, An-Hua,Carlin, Josephine R.,Karanam, Bindhu V.,Vincent, Stella H.,Cheng, Kang,Goulet, Mark T.

, p. 827 - 832 (2002)

A series of 2-arylindoles containing novel heteroaromatic substituents on the tryptamine tether, based on compound 1, was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. Successful modifications of 1 included chain length variation (reduction) and replacement of the pyridine with heteroaromatic groups. These alterations culminated in the discovery of compound 27kk which had excellent in vitro potency and oral efficacy in rodents.

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