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3-Cyanothiophene-2-carboxylic acid is an organic compound characterized by the molecular formula C7H5NO2S. It is a carboxylic acid derivative of thiophene, featuring a cyano group at the third position and a carboxylic acid group at the second position on the thiophene ring. This versatile chemical is known for its applications in various fields, including pharmaceuticals, agrochemicals, dyes, and organic chemistry research. Additionally, it holds potential for the development of new materials and electronic devices due to its distinct chemical properties.

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  • 58231-00-8 Structure
  • Basic information

    1. Product Name: 3-CYANOTHIOPHENE-2-CARBOXYLIC ACID
    2. Synonyms: 3-CYANOTHIOPHENE-2-CARBOXYLIC ACID;3-Cyano-2-thiophenecarboxylic acid
    3. CAS NO:58231-00-8
    4. Molecular Formula: C6H3NO2S
    5. Molecular Weight: 153.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 58231-00-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 367.664 °C at 760 mmHg
    3. Flash Point: 176.157 °C
    4. Appearance: /
    5. Density: 1.517 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-CYANOTHIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-CYANOTHIOPHENE-2-CARBOXYLIC ACID(58231-00-8)
    11. EPA Substance Registry System: 3-CYANOTHIOPHENE-2-CARBOXYLIC ACID(58231-00-8)
  • 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: 58231-00-8(Hazardous Substances Data)

58231-00-8 Usage

Uses

Used in Pharmaceutical Industry:
3-Cyanothiophene-2-carboxylic acid is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drug candidates with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Cyanothiophene-2-carboxylic acid serves as a building block for the creation of novel agrochemicals, such as pesticides and herbicides, that can improve crop protection and yield.
Used in Dye Industry:
3-Cyanothiophene-2-carboxylic acid is utilized in the production of dyes, where its chemical properties contribute to the development of new colorants with enhanced properties, such as improved colorfastness and stability.
Used in Organic Chemistry Research:
As a versatile organic compound, 3-Cyanothiophene-2-carboxylic acid is employed in organic chemistry research for the exploration of new synthetic pathways, reaction mechanisms, and the discovery of novel chemical transformations.
Used in Material Science:
3-Cyanothiophene-2-carboxylic acid has potential applications in the development of new materials, such as polymers and composites, that can exhibit unique properties, including improved electrical conductivity, thermal stability, and mechanical strength.
Used in Electronic Devices:
Due to its unique chemical properties, 3-Cyanothiophene-2-carboxylic acid may be employed in the development of electronic devices, such as organic light-emitting diodes (OLEDs), solar cells, and sensors, where its incorporation can enhance device performance and functionality.

Check Digit Verification of cas no

The CAS Registry Mumber 58231-00-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,2,3 and 1 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 58231-00:
(7*5)+(6*8)+(5*2)+(4*3)+(3*1)+(2*0)+(1*0)=108
108 % 10 = 8
So 58231-00-8 is a valid CAS Registry Number.

58231-00-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-CYANOTHIOPHENE-2-CARBOXYLIC ACID

1.2 Other means of identification

Product number -
Other names 2-Thiophenecarboxylic acid,3-cyano

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:58231-00-8 SDS

58231-00-8Downstream Products

58231-00-8Relevant articles and documents

DNA binding ligands targeting drug-resistant bacteria: Structure, activity, and pharmacology

Kaizerman, Jacob A.,Gross, Matthew I.,Ge, Yigong,White, Sarah,Hu, Wenhao,Duan, Jian-Xin,Baird, Eldon E.,Johnson, Kirk W.,Tanaka, Richard D.,Moser, Heinz E.,Bürli, Roland W.

, p. 3914 - 3929 (2007/10/03)

We describe the lead optimization and structure-activity relationship of DNA minor-groove binding ligands, a novel class of antibacterial molecules. These compounds have been shown to target A/T-rich sites within the bacterial genome and, as a result, inhibit DNA replication and RNA transcription. The optimization was focused on N-terminal aromatic heterocycles and C-terminal amines and resulted in compounds with improved in vivo tolerability and excellent in vitro antibacterial potency (MIC ≥ 0.031 μg/mL) against a broad range of Gram-positive pathogens, including drug-resistant strains such as methicillin-resistant Stapylococcus aureus (MRSA), penicillin-resistant Streptococcus pneumoniae (PRSP), and vancomycin-resistant Enterococcus faecalis (VRE). In a first proof-of-concept study, a selected compound (35) showed in vivo efficacy in a mouse peritonitis model against methicillin-sensitive S. aureus infection with an ED50 value of 30 mg/kg.

Phosphorylamides, their preparation and use

-

, (2008/06/13)

A phosphorylamide derivative represented by the general formula (I): STR1 wherein R represents an amino group that may be substituted, or a salt thereof, possesses potent antibacterial activity against Helicobacter bacterium, especially Helicobacter pylori, and is useful for prevention or treatment of digestive diseases caused by Helicobacter bacterium, solely or in combination with an antacid or an acid secretion inhibitor.

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