Isoquinoline, 6-bromo-7-fluoro-, also known as 6-Br-7-F-isoquinoline, is a chemical compound with the molecular formula C9H6BrFN. It belongs to the class of organic compounds known as isoquinolines, which are aromatic compounds containing a 1-aza-atom attached to a benzene ring. This specific isoquinoline is a substituted variant, featuring bromine and fluorine atoms attached to the 6th and 7th positions, respectively. Its unique structural and chemical properties make it a valuable building block in the synthesis of various pharmaceutical products and agrochemicals. Furthermore, it holds potential in the realm of drug discovery and medicinal chemistry.
1258833-80-5
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Basic information
- Product Name: Isoquinoline, 6-broMo-7-fluoro-
- Synonyms: Isoquinoline, 6-broMo-7-fluoro-;6-bromo-7-fluoroisoquinoline
- CAS NO:1258833-80-5
- Molecular Formula: C9H5BrFN
- Molecular Weight: 226.0451032
- EINECS: N/A
- Product Categories: N/A
- Mol File: 1258833-80-5.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 311.8±22.0 °C(Predicted)
- Flash Point: N/A
- Appearance: /
- Density: 1.647±0.06 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: Sealed in dry,Room Temperature
- Solubility: N/A
- PKA: 4.25±0.10(Predicted)
- CAS DataBase Reference: Isoquinoline, 6-broMo-7-fluoro-(CAS DataBase Reference)
- NIST Chemistry Reference: Isoquinoline, 6-broMo-7-fluoro-(1258833-80-5)
- EPA Substance Registry System: Isoquinoline, 6-broMo-7-fluoro-(1258833-80-5)
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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: 1258833-80-5(Hazardous Substances Data)
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1258833-80-5 Usage
Uses
Used in Pharmaceutical Industry:Isoquinoline, 6-bromo-7-fluorois used as a building block for the synthesis of pharmaceutical products due to its unique structural and chemical properties. It contributes to the development of new drugs with improved efficacy and selectivity.
Used in Agrochemical Industry:
In the agrochemical industry, Isoquinoline, 6-bromo-7-fluoroserves as a key intermediate in the synthesis of various agrochemicals. Its unique properties allow for the creation of novel compounds with enhanced pesticidal or herbicidal activities.
Used in Drug Discovery:
Isoquinoline, 6-bromo-7-fluorois utilized in drug discovery as a starting point for the design and synthesis of new drug candidates. Its unique structural features enable the development of compounds with potential therapeutic applications in various diseases and conditions.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, Isoquinoline, 6-bromo-7-fluorois employed as a versatile building block for the synthesis of bioactive molecules. Its unique properties facilitate the creation of compounds with potential applications in the treatment of various diseases and disorders.
Check Digit Verification of cas no
The CAS Registry Mumber 1258833-80-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,5,8,8,3 and 3 respectively; the second part has 2 digits, 8 and 0 respectively.Calculate Digit Verification of CAS Registry Number 1258833-80:
(9*1)+(8*2)+(7*5)+(6*8)+(5*8)+(4*3)+(3*3)+(2*8)+(1*0)=185
185 % 10 = 5
So 1258833-80-5 is a valid CAS Registry Number.
1258833-80-5Upstream product
1258833-80-5Downstream Products
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Isoquinoline, 6-broMo-7-fluoro-
