C7HF5O2
212.07 g/mol
Research ReagentDanger
Pentafluorobenzoic acid
CAS602-94-8EC210-026-6
Category
Research Reagent
Compound Class
Organic Acid
Primary Use
Research Compound
Pentafluorobenzoic acid is an organofluorine compound that appears as a white crystalline powder with high water solubility. It is a strong acid with a pKa of 1.
MALDI matrix for synthetic polymer analysisLaboratory reagent for organic synthesis
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
StrongStructure SimilarSimilarity 0.93
Tetrafluoroterephthalic acid
CAS652-36-8
Industrial chemical intermediate
SimilarStructure SimilarSimilarity 0.72
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pharmaceutical intermediate
ApplicationSame Use
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research compound
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CAS99-10-5
research compound
ApplicationSame Use
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research compound
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3-hydroxypicolinic acid
CAS874-24-8
research compound
ReferenceSame Category
Lithium triamylborohydride
CAS60217-34-7
research compound
ReferenceSame Category
2,6-Difluorobenzenesulfonyl chloride
CAS60230-36-6
research compound
Safety Reference
Danger
H301Toxic if swallowed
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
Customs Tariff Classification
The international HS code for Pentafluorobenzoic acid (CAS 602-94-8) is 2916.39.
HS code (international, 6-digit)
2916.39
EU CN code (8-digit)
2916 39 90
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
2,3,4,5,6-pentafluorobenzoic acid
InChIKey
YZERDTREOUSUHF-UHFFFAOYSA-N
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
Synonyms (5)
- BENZOIC ACID, PENTAFLUORO-
- Pentafluorobenzoic acid
- Perfluorobenzoic acid
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