Benzaldehyde, 2-chloro-3-fluoro-


Chemical Name: Benzaldehyde, 2-chloro-3-fluoro-
CAS Number: 96516-31-3
Product Number: AG00337G(AGN-PC-0032ID)
Synonyms:
MDL No:
Molecular Formula: C7H4ClFO
Molecular Weight: 158.5575

Identification/Properties


Properties
MP:
29-32℃
BP:
211°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Air Sensitive
Computed Properties
Molecular Weight:
158.556g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
157.993g/mol
Monoisotopic Mass:
157.993g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
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

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NMR Spectrum


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Chemical Structure



2-Chloro-3-fluorobenzaldehyde is a versatile chemical compound commonly used in chemical synthesis as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure containing both chlorine and fluorine substituents makes it a valuable building block for creating complex organic molecules with specific desirable properties.In chemical synthesis, 2-Chloro-3-fluorobenzaldehyde serves as a crucial starting material for the synthesis of various heterocyclic compounds, such as benzimidazoles, benzothiazoles, and benzoxazoles. These heterocycles are important structural motifs found in many bioactive molecules, including drugs and agrochemicals. By using 2-Chloro-3-fluorobenzaldehyde as a precursor, chemists can efficiently introduce the chlorine and fluorine functionalities into the target molecules, enhancing their stability, reactivity, and biological activity.Furthermore, 2-Chloro-3-fluorobenzaldehyde can participate in various chemical reactions, such as Friedel-Crafts acylation, nucleophilic substitution, and Heck coupling, enabling the synthesis of a wide range of diverse compounds with different properties and functions. Its strategic position in the synthetic pathway makes it a valuable tool for designing and constructing complex organic molecules with specific applications in medicinal chemistry, material science, and other interdisciplinary fields.