3-Fluoroisoquinoline is a chemical compound belonging to the isoquinoline family, characterized by the molecular formula C9H6FN. It features a fluorine atom at the 3-position of the isoquinoline ring, which imparts unique properties to the compound. This fluorinated isoquinoline is recognized for its versatile reactivity and is widely used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Its presence in research and development is significant due to its ability to participate in various chemical reactions, which can enhance the biological activity and pharmacokinetics of the resulting compounds.
396-29-2
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Basic information
- Product Name: 3-Fluoroisoquinoline
- Synonyms: 3-Fluoroisoquinoline
- CAS NO:396-29-2
- Molecular Formula: C9H6FN
- Molecular Weight: 147.1490432
- EINECS: N/A
- Product Categories: N/A
- Mol File: 396-29-2.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 266.047°C at 760 mmHg
- Flash Point: 114.701°C
- Appearance: /
- Density: 1.216g/cm3
- Vapor Pressure: 0.015mmHg at 25°C
- Refractive Index: 1.614
- Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
- Solubility: N/A
- CAS DataBase Reference: 3-Fluoroisoquinoline(CAS DataBase Reference)
- NIST Chemistry Reference: 3-Fluoroisoquinoline(396-29-2)
- EPA Substance Registry System: 3-Fluoroisoquinoline(396-29-2)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 396-29-2(Hazardous Substances Data)
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396-29-2 Usage
Uses
Used in Pharmaceutical Industry:3-Fluoroisoquinoline is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to improve the biological activity and pharmacokinetics of the final drug products. The presence of the fluorine atom can significantly affect the compound's properties, making it a valuable component in drug design and development.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Fluoroisoquinoline is utilized as a building block for the creation of new agrochemicals. Its unique structure and reactivity contribute to the development of effective compounds for crop protection and other agricultural applications.
Used in Fine Chemicals Synthesis:
3-Fluoroisoquinoline is employed as a versatile starting material in the synthesis of fine chemicals, which are high-purity, specialty chemicals used in various industries. Its unique properties allow for the creation of a wide range of products with specific applications.
Used in Research and Development:
3-Fluoroisoquinoline is used as a research compound to explore new chemical reactions and investigate its potential in enhancing the properties of other compounds. Its diverse reactivity makes it an important tool in the advancement of chemistry and related fields.
Check Digit Verification of cas no
The CAS Registry Mumber 396-29-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,9 and 6 respectively; the second part has 2 digits, 2 and 9 respectively.Calculate Digit Verification of CAS Registry Number 396-29:
(5*3)+(4*9)+(3*6)+(2*2)+(1*9)=82
82 % 10 = 2
So 396-29-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H6FN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H
396-29-2Upstream product
396-29-2Downstream Products
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3-Fluoroisoquinoline
