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80066-99-5

3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is a heterocyclic chemical compound characterized by a benzofuran ring with a pyrrol group attached to the third carbon atom and a carboxylic acid group at the second carbon atom. This molecular structure features a common benzofuran scaffold found in various biologically active compounds, enhanced by the addition of a pyrrol group for increased diversity and interaction potential with biological targets. The carboxylic acid group introduces polarity, which may facilitate interactions with enzymes and receptors, making it a promising candidate for pharmaceutical development.

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  • 80066-99-5 Structure

  • Basic information

    1. Product Name: 3-(1H-PYRROL-1-YL)-1-BENZOFURAN-2-CARBOXYLIC ACID
    2. Synonyms: 3-PYRROL-1-YL-BENZOFURAN-2-CARBOXYLIC ACID;3-(1H-PYRROL-1-YL)-1-BENZOFURAN-2-CARBOXYLIC ACID;TIMTEC-BB SBB007345
    3. CAS NO:80066-99-5
    4. Molecular Formula: C13H9NO3
    5. Molecular Weight: 227.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 80066-99-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 413.6°C at 760 mmHg
    3. Flash Point: 203.9°C
    4. Appearance: /
    5. Density: 1.35g/cm3
    6. Vapor Pressure: 1.39E-07mmHg at 25°C
    7. Refractive Index: 1.656
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(1H-PYRROL-1-YL)-1-BENZOFURAN-2-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(1H-PYRROL-1-YL)-1-BENZOFURAN-2-CARBOXYLIC ACID(80066-99-5)
    12. EPA Substance Registry System: 3-(1H-PYRROL-1-YL)-1-BENZOFURAN-2-CARBOXYLIC ACID(80066-99-5)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 80066-99-5(Hazardous Substances Data)

80066-99-5 Usage

Uses

Used in Pharmaceutical Industry:
3-(1H-PYRROL-1-YL)-1-BENZOFURAN-2-CARBOXYLIC ACID is used as a lead compound for the development of new pharmaceuticals due to its unique molecular structure and potential for interaction with biological targets. The benzofuran ring provides a stable scaffold for drug design, while the pyrrol group and carboxylic acid group offer additional points for modification and optimization to enhance pharmacological properties.
3-(1H-PYRROL-1-YL)-1-BENZOFURAN-2-CARBOXYLIC ACID's potential applications in medicinal chemistry may include the treatment of various diseases and conditions, given its ability to interact with enzymes and receptors. Further research and development are necessary to explore its full therapeutic potential and to design effective drug candidates based on this chemical structure.

Check Digit Verification of cas no

The CAS Registry Mumber 80066-99-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,0,6 and 6 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 80066-99:
(7*8)+(6*0)+(5*0)+(4*6)+(3*6)+(2*9)+(1*9)=125
125 % 10 = 5
So 80066-99-5 is a valid CAS Registry Number.
InChI:InChI=1/C13H9NO3/c15-13(16)12-11(14-7-3-4-8-14)9-5-1-2-6-10(9)17-12/h1-8H,(H,15,16)

80066-99-5SDS

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 3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic 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:80066-99-5 SDS

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