1,3-dichloro-7-fluoroisoquinoline


Chemical Name: 1,3-dichloro-7-fluoroisoquinoline
CAS Number: 941294-25-3
Product Number: AG003DJE(AGN-PC-058CNR)
Synonyms:
MDL No:
Molecular Formula: C9H4Cl2FN
Molecular Weight: 216.0392

Identification/Properties


Properties
BP:
332.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
216.036g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
214.97g/mol
Monoisotopic Mass:
214.97g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Isoquinoline, 1,3-dichloro-7-fluoro- is a versatile compound commonly used in chemical synthesis applications. This specific derivative of isoquinoline possesses unique properties that make it highly valuable for organic chemists. In synthesis, it serves as a key building block for the preparation of various pharmaceuticals, agrochemicals, and materials.Due to its distinctive structure and reactivity, Isoquinoline, 1,3-dichloro-7-fluoro- is often utilized as a precursor in the synthesis of complex organic molecules. Its functional groups allow for selective derivatization, enabling chemists to introduce specific modifications to the molecule with high efficiency. This compound plays a vital role in the development of new drugs, fine chemicals, and advanced materials, contributing to advancements in various fields of chemistry and medicine.