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CAS 394-30-9

5-Chloro-2-fluorobenzoic Acid TCI C2094

5-Chloro-2-fluorobenzoic Acid TCI C2094

Chemical Identity

CAS No.
394-30-9
PubChem
CID 2736537·SID 87558996
Formula
C7H4ClFO2
Molecular weight
174.56 g/mol
Purity
>98.0%(GC)(T)
Reference databases
ECHA
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
5-chloro-2-fluorobenzoic acid
SMILES
C1=CC(=C(C=C1Cl)C(=O)O)F
InChIKey
WGAVMKXCDMQVNF-UHFFFAOYSA-N
MDL
MDL00665762
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5-Chloro-2-fluorobenzoic acid, CAS number 394-30-9, is an organic chemical compound that belongs to the group of halogen-substituted benzoic acids and is specifically classified as a fluorinated building block. In laboratory practice, this compound plays an important role as a starting material or intermediate in organic synthesis, particularly in the design of drug molecules and specialty chemicals. The presence of a carboxylic acid group on the aromatic ring provides a versatile reaction site, while the chlorine and fluorine atoms in specific positions enable further modification through various substitution reactions. As such, this compound serves as one of the key foundations in the development of new compounds that require halogenated aromatic frameworks.

This compound features a combination of two halogen substituents on the aromatic ring: chlorine at position 5 and fluorine at position 2, both relative to the carboxylic acid group. This combination gives it a distinctive reactivity profile that makes it a preferred choice for synthetic chemists. The small, highly electronegative fluorine atom influences the electron density of the ring, which can tune the compound's behavior in subsequent transformations, while the chlorine atom offers the possibility of transition metal-mediated cross-coupling reactions. Together, these features make 5-chloro-2-fluorobenzoic acid a well-characterized, multifunctional scaffold that can be selectively elaborated into more complex structures under controlled laboratory conditions.

In Indonesian laboratories, particularly in academic research groups, pharmaceutical R&D facilities, and fine chemical development units, this compound is typically used as a reliable building block in multistep synthetic sequences. Chemists commonly employ it when constructing halogenated aromatic intermediates for medicinal chemistry projects, agrochemical research, and the preparation of custom organic molecules. Its predictable reactivity and the availability of quality material from a reputable supplier make it a practical choice for routine synthesis work, method development, and structure-activity relationship studies conducted in university and industrial laboratories across the country.

TCI brochures (PDF)

  • Medicinal chemistry intermediate: serves as a halogenated aromatic scaffold for building drug-like molecules, since its carboxylic acid and halogen positions allow stepwise functionalization in multi-step synthesis.
  • Transition metal cross-coupling substrate: the chlorine at position 5 is amenable to palladium-catalyzed coupling reactions, enabling the introduction of aryl, alkyl, or heteroaryl groups onto the aromatic ring.
  • Electronic property tuning: the small electronegative fluorine at position 2 modifies the ring's electron density, making the compound useful for studying how substituent effects influence reactivity and molecular properties.
  • Fine chemical synthesis: this building block is used to prepare specialty chemicals and custom organic compounds whose target structures require a halogenated benzoic acid framework.
  • Structure-activity relationship studies: researchers use this compound as a fixed halogenated core to generate analogue series and compare how different substituents affect biological or chemical performance.

Brand TCI
CAS number 394-30-9
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Fluorinated Building Blocks
Pack sizes standard laboratory pack sizes available; store in a cool, dry place as recommended on the product label.
Physical form —
Storage —
  • Product code: C2094
  • Product name: 5-Chloro-2-fluorobenzoic Acid

Store 5-chloro-2-fluorobenzoic acid in its original, tightly sealed container in a cool, dry, and well-ventilated area, away from direct sunlight and sources of heat or ignition. Keep the container closed when not in use to protect the material from moisture and contamination. Use containers made of materials compatible with carboxylic acids, such as glass or suitable laboratory-grade plastic, and transfer the compound only with clean, dry spatulas. Wear appropriate personal protective equipment, including laboratory gloves, safety goggles, and a lab coat, and handle the substance in a fume hood or well-ventilated work area. Avoid inhalation of dust, skin contact, and ingestion, and wash hands thoroughly after handling. Always follow the safety data sheet provided by the supplier and dispose of any waste in accordance with local laboratory regulations.

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