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5805-53-8

1H-Benzimidazole-2-carboxylic acid, methyl ester (9CI) is a chemical compound with the molecular formula C9H8N2O2. It belongs to the class of organic compounds known as benzimidazoles, which are characterized by a benzene ring fused to an imidazole ring. The imidazole ring contains two non-adjacent nitrogen atoms, giving this compound its unique properties. Although it has been used in various applications, particularly in chemical research, its toxicity, environmental impact, and occupational exposure effects are not well-studied.

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  • 5805-53-8 Structure

  • Basic information

    1. Product Name: 1H-Benzimidazole-2-carboxylicacid,methylester(9CI)
    2. Synonyms: 1H-Benzimidazole-2-carboxylicacid,methylester(9CI);2-Benzimidazolecarboxylic acid, methyl ester;Methyl BenziMidazole-2-carboxylate
    3. CAS NO:5805-53-8
    4. Molecular Formula: C9H8N2O2
    5. Molecular Weight: 176.18
    6. EINECS: N/A
    7. Product Categories: BENZIMIDAZOLE
    8. Mol File: 5805-53-8.mol

  • Chemical Properties

    1. Melting Point: 187.3 °C
    2. Boiling Point: 343.1±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.324±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 10.39±0.10(Predicted)
    10. CAS DataBase Reference: 1H-Benzimidazole-2-carboxylicacid,methylester(9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1H-Benzimidazole-2-carboxylicacid,methylester(9CI)(5805-53-8)
    12. EPA Substance Registry System: 1H-Benzimidazole-2-carboxylicacid,methylester(9CI)(5805-53-8)

  • 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: 5805-53-8(Hazardous Substances Data)

5805-53-8 Usage

Uses

Used in Chemical Research:
1H-Benzimidazole-2-carboxylic acid, methyl ester (9CI) is used as a research compound for its distinctive chemical properties. It is valuable in the development and synthesis of new compounds and materials, contributing to the advancement of the chemical sciences.
Used in Pharmaceutical Development:
While not extensively studied, 1H-Benzimidazole-2-carboxylic acid, methyl ester (9CI) may have potential applications in the pharmaceutical industry. Its unique structure could be harnessed for the design of new drugs, particularly in the areas of medicinal chemistry and drug discovery.
Used in Material Science:
1H-Benzimidazole-2-carboxylic acid, methyl ester (9CI) is used as a building block in the synthesis of advanced materials. Its incorporation into polymers and other materials could lead to the development of new products with improved properties, such as enhanced stability or specific reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 5805-53-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,0 and 5 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5805-53:
(6*5)+(5*8)+(4*0)+(3*5)+(2*5)+(1*3)=98
98 % 10 = 8
So 5805-53-8 is a valid CAS Registry Number.
InChI:InChI=1S/C9H8N2O2/c1-13-9(12)8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,10,11)

5805-53-8SDS

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 1H-benzo[d]imidazole-2-carboxylate

1.2 Other means of identification

Product number -
Other names methyl 1H-benzimidazole-2-carboxylate

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:5805-53-8 SDS

5805-53-8Relevant articles and documents

Synthesis of 3-Phenyl-1H-[1,4]oxazino[4,3-a]benzimidazol-1-one and Its Transformation into 4-Phenyl-2,5-dihydro-1H-[1,2,5]triazepino[5,4-a]benzimidazol-1-one

Kharaneko,Pekhtereva,Kharaneko

, p. 396 - 401 (2021/04/05)

Abstract: A synthetic route has been proposed to 3-phenyl-1H-[1,4]oxazino[4,3-a]benzimidazol-1-one, which is the first representative of a new heterocyclic system. The transformation of the title compound to 4-phenyl-2,5-dihydro-1H-[1,2,5]triazepino[5,4-a]benzimidazol-1-one via reaction with hydrazine hydrate has been studied.

CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS

-

Paragraph 0216; 0219, (2020/12/19)

Mcl-1 selective inhibitors, Bcl-2 selective inhibitors, and Mcl-1/Bcl-2 dual inhibitors and methods of using the same for the treatment of disease are disclosed.

Photochemistry of 2-(2-Furyl)-benzimidazole (Fuberidazole)

Herrmann, Christiane,Foerster, Rolf,Koch, Helmut,Wamhoff, Heinrich

, p. 1431 - 1437 (2007/10/02)

The photodegradation of 2-(2-furyl)-benzimidazole (Fuberidazole 1) has been reinvestigated employing advanced HPLC-UV/VIS techniques and fluorescence emission and excitation spectroscopy in methanol at natural pH, in acidic medium and in aqueous solutions at pH 7 and 3, and four main products benzimidazole-2-carboxyclic acid 3, its methyl ester 2, 1-methoxy benzimidazole 5, methyl 4-oxo-2-benzimidazole crotonate 7 (cis and trans isomers) besides benzimidazole 4 and 2,2'-bibenzimidazole 6 and other side products have been isolated and characterized.The kinetics of the photodegradation process was followed independently be HPLC-UV and fluorescence emission showing a significant similarity of the curve habit; this allows to monitor a photodegradation at very low concentrations (5*10-5 - 5*10-6 M).The quantum yield of disappearance of Fuberidazole has been determined. Key Words: 2-(2-Furyl)-benzimidazole, Fuberidazole, Photodegradation, HPLC Separation, Fluorescence Emission

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