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3-(3-Fluorophenyl)pyrrolidine, a chemical compound with the molecular formula C10H12FN, is a pyrrolidine derivative featuring a fluorine-substituted phenyl group at the third position of the pyrrolidine ring. This unique structure and its properties render it a versatile and interesting chemical for various applications in the fields of organic synthesis, pharmaceutical development, and drug structure-activity relationship studies.

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  • 125067-75-6 Structure
  • Basic information

    1. Product Name: 3-(3-FLUOROPHENYL)PYRROLIDINE
    2. Synonyms: 3-(3-FLUOROPHENYL)PYRROLIDINE;Pyrrolidine, 3-(3-fluorophenyl)-
    3. CAS NO:125067-75-6
    4. Molecular Formula: C10H12FN
    5. Molecular Weight: 165.2073832
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 125067-75-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 238.5 °C at 760 mmHg
    3. Flash Point: 98 °C
    4. Appearance: white to beige crystals or crystalline powder
    5. Density: 1.078 g/cm3
    6. Vapor Pressure: 0.0423mmHg at 25°C
    7. Refractive Index: 1.515
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 9.96±0.10(Predicted)
    11. CAS DataBase Reference: 3-(3-FLUOROPHENYL)PYRROLIDINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-(3-FLUOROPHENYL)PYRROLIDINE(125067-75-6)
    13. EPA Substance Registry System: 3-(3-FLUOROPHENYL)PYRROLIDINE(125067-75-6)
  • 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: 125067-75-6(Hazardous Substances Data)

125067-75-6 Usage

Uses

Used in Organic Synthesis:
3-(3-Fluorophenyl)pyrrolidine is used as a building block in organic synthesis for the creation of complex organic molecules. Its presence in the synthesis process can influence the reactivity and selectivity of the resulting compounds, making it a valuable component in the development of new organic materials.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 3-(3-Fluorophenyl)pyrrolidine is utilized as a research tool in the development of new drugs. Its unique structure allows it to be a potential candidate for the treatment of various diseases, as it can be modified to target specific biological pathways or receptors.
Used in Drug Structure-Activity Relationship Studies:
3-(3-Fluorophenyl)pyrrolidine is employed in the study of the structure-activity relationships of drugs. Understanding how the compound's structure affects its biological activity is crucial for optimizing drug efficacy and safety, leading to the design of more effective therapeutic agents.
Used in Chemical Research:
3-(3-Fluorophenyl)pyrrolidine is also used in chemical research to explore its reactivity, stability, and potential interactions with other molecules. This research can provide insights into new chemical reactions and mechanisms, contributing to the advancement of chemical science.

Check Digit Verification of cas no

The CAS Registry Mumber 125067-75-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,5,0,6 and 7 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 125067-75:
(8*1)+(7*2)+(6*5)+(5*0)+(4*6)+(3*7)+(2*7)+(1*5)=116
116 % 10 = 6
So 125067-75-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H12FN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2

125067-75-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3-FLUOROPHENYL)PYRROLIDINE

1.2 Other means of identification

Product number -
Other names 3-(3-Fluorophenyl)pyrrolidine HCl

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:125067-75-6 SDS

125067-75-6Downstream Products

125067-75-6Relevant articles and documents

Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase

Lv, Wei,Banerjee, Biplab,Molland, Katrina L.,Seleem, Mohamed N.,Ghafoor, Adil,Hamed, Maha I.,Wan, Baojie,Franzblau, Scott G.,Mesecar, Andrew D.,Cushman, Mark

, p. 406 - 418 (2014/01/17)

Inorganic pyrophosphatases are potential targets for the development of novel antibacterial agents. A pyrophosphatase-coupled high-throughput screening assay intended to detect o-succinyl benzoic acid coenzyme A (OSB CoA) synthetase inhibitors led to the unexpected discovery of a new series of novel inorganic pyrophosphatase inhibitors. Lead optimization studies resulted in a series of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazine derivatives that were prepared by an efficient synthetic pathway. One of the tetracyclic triazine analogues 22h displayed promising antibiotic activity against a wide variety of drug-resistant Staphylococcus aureus strains, as well as activity versus Mycobacterium tuberculosis and Bacillus anthracis, at a concentration that was not cytotoxic to mammalian cells.

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