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(3S,4R)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is a complex organic compound that belongs to the class of chemicals known as phenylpyrrolidines. It features a pyrrolidine ring, a five-membered cyclic amine, and a phenyl ring substituted by a trifluoromethyl group. The "(3S,4R)" in its name denotes the specific stereochemistry of the molecule, which refers to the spatial arrangement of atoms in the pyrrolidine ring. (3S,4R)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid may have applications in various fields due to its potential as a bioactive molecule.

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  • (3S,4R)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid

    Cas No: 1049978-59-7

  • USD $ 1.9-2.9 / Gram

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  • 1049978-59-7 Structure
  • Basic information

    1. Product Name: (3S,4R)-4-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
    2. Synonyms: (3S,4R)-4-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;trans-4-(2-(Trifluoromethyl)
    3. CAS NO:1049978-59-7
    4. Molecular Formula: C12H12F3NO2
    5. Molecular Weight: 259.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1049978-59-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 369.8 °C at 760 mmHg
    3. Flash Point: 177.4 °C
    4. Appearance: /
    5. Density: 1.331g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 3.63±0.40(Predicted)
    10. CAS DataBase Reference: (3S,4R)-4-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3S,4R)-4-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID(1049978-59-7)
    12. EPA Substance Registry System: (3S,4R)-4-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID(1049978-59-7)
  • 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: 1049978-59-7(Hazardous Substances Data)

1049978-59-7 Usage

Uses

Used in Chemical Research:
(3S,4R)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is used as a research compound for exploring its chemical properties and potential interactions with other molecules. Its unique structure and stereochemistry make it a valuable subject for studies in organic chemistry.
Used in Biomedical Research:
In the field of biomedical research, (3S,4R)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is used as a potential bioactive molecule. Its structure may allow it to interact with biological systems, making it a candidate for drug development or as a tool in understanding biological processes.
Used in Drug Development:
(3S,4R)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is used as a lead compound in drug discovery. Its chemical properties and potential bioactivity suggest that it could be developed into a therapeutic agent, particularly if it demonstrates the ability to modulate biological targets relevant to disease treatment.
Used in Pharmaceutical Industry:
Within the pharmaceutical industry, (3S,4R)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is used as a starting material for the synthesis of more complex molecules. Its versatility in chemical reactions may enable the creation of new drugs with improved efficacy and safety profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 1049978-59-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,4,9,9,7 and 8 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1049978-59:
(9*1)+(8*0)+(7*4)+(6*9)+(5*9)+(4*7)+(3*8)+(2*5)+(1*9)=207
207 % 10 = 7
So 1049978-59-7 is a valid CAS Registry Number.

1049978-59-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride

1.2 Other means of identification

Product number -
Other names 3-?Pyrrolidinecarboxyli?c acid, 4-?[2-?(trifluoromethyl)?phenyl]?-?, (3S,?4R)?-

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:1049978-59-7 SDS

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