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3,4-Difluorophenylglycine is a chemical compound with the molecular formula C8H7F2NO2. It is a derivative of glycine, an important neurotransmitter in the central nervous system. 3,4-Difluorophenylglycine is characterized by the presence of two fluorine atoms at the 3rd and 4th positions of the phenyl ring, which imparts unique properties to the molecule. Its specific reactivity and properties make it a valuable building block in the synthesis of various compounds, particularly in the pharmaceutical and agrochemical industries.

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  • 225641-94-1 Structure
  • Basic information

    1. Product Name: 3,4-Difluorophenylglycine
    2. Synonyms: Benzeneacetic acid, alpha-aMino-3,4-difluoro-;2-(3,4-Difluorophenyl)glycine;3,4-Difluoro-DL-phenylglycine 98%;Amino(3,4-difluorophenyl)acetic acid, 2-Amino-2-(3,4-difluorophenyl)ethanoic acid;3,4-Difluoro-DL-phenylglycine98%;3,4-Difluorophenylglycine98%
    3. CAS NO:225641-94-1
    4. Molecular Formula: C8H7F2NO2
    5. Molecular Weight: 187.15
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 225641-94-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 289 °C at 760 mmHg
    3. Flash Point: 128.6 °C
    4. Appearance: /
    5. Density: 1.442 g/cm3
    6. Vapor Pressure: 0.00104mmHg at 25°C
    7. Refractive Index: 1.543
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 1.70±0.10(Predicted)
    11. CAS DataBase Reference: 3,4-Difluorophenylglycine(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3,4-Difluorophenylglycine(225641-94-1)
    13. EPA Substance Registry System: 3,4-Difluorophenylglycine(225641-94-1)
  • 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: 225641-94-1(Hazardous Substances Data)

225641-94-1 Usage

Uses

Used in Pharmaceutical Industry:
3,4-Difluorophenylglycine is used as a key intermediate in the synthesis of pharmaceuticals for the treatment of neurological disorders. Its incorporation into drug molecules can enhance their bioavailability and metabolic stability, making it a promising candidate for drug development.
Used in Agrochemical Industry:
3,4-Difluorophenylglycine is utilized in the production of agrochemicals, such as pesticides and herbicides. Its unique chemical properties allow for the development of more effective and targeted agrochemicals, contributing to improved crop protection and yield.
Used in Specialty Chemicals Production:
3,4-Difluorophenylglycine serves as a building block in the synthesis of specialty chemicals, which have a wide range of applications in various industries, including materials science, coatings, and polymers. Its reactivity and properties enable the creation of novel compounds with specific characteristics, catering to the needs of different applications.

Check Digit Verification of cas no

The CAS Registry Mumber 225641-94-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,5,6,4 and 1 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 225641-94:
(8*2)+(7*2)+(6*5)+(5*6)+(4*4)+(3*1)+(2*9)+(1*4)=131
131 % 10 = 1
So 225641-94-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H7F2NO2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)

225641-94-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,4-Difluorophenylglycine

1.2 Other means of identification

Product number -
Other names -

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:225641-94-1 SDS

225641-94-1Downstream Products

225641-94-1Relevant articles and documents

Discovery of novel spiro-piperidine derivatives as highly potent and selective melanin-concentrating hormone 1 receptor antagonists

Suzuki, Takao,Moriya, Minoru,Sakamoto, Toshihiro,Suga, Takuya,Kishino, Hiroyuki,Takahashi, Hidekazu,Ishikawa, Makoto,Nagai, Keita,Imai, Yumiko,Sekino, Etsuko,Ito, Masahiko,Iwaasa, Hisashi,Ishihara, Akane,Tokita, Shigeru,Kanatani, Akio,Sato, Nagaaki,Fukami, Takehiro

scheme or table, p. 3072 - 3077 (2010/02/28)

Optimization of high-throughput screening hit 1a led to the identification of a novel spiro-piperidine class of melanin-concentrating hormone 1 receptor (MCH-1R) antagonists. Compound 3c was identified as a highly potent and selective MCH-1R antagonist, which has an IC50 value of 0.09 nM at hMCH-1R. The synthesis and structure-activity relationships of the novel spiro-piperidine MCH-1R antagonists are described.

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