4-Fluorocinnamic acid - ≥99% , CAS No.459-32-5

CAS: 459-32-5 Cat. No.: F101928 Formula: C₉H₇FO₂ Molecular Weight: 166.15 Beilstein Registry Number: 9(4)2029 EC Number: 207-288-9

GRADE & PURITY ≥99%

Synonyms

4-Fluorocinnamic acid | NSC 74070 | BDBM50486890 | (~{E})-3-(4-fluorophenyl)prop-2-enoic acid | (e)-3-(4-fluorophenyl)-2-propenoic acid | AKOS000120458 | EINECS 238-214-3 | (E)-p-Fluorocinnamic acid | HMS1396N04 | W-106111 | BCP21432 | 3-(4-fluorophenyl)a

Storage

Room temperature

Shipped In

Normal

Overview

The shock loading of 4-fluorocinnamic acid (4-FCA) was treated using a rotating biological contactor (RBC)

Specifications

Synonyms

4-Fluorocinnamic acid | NSC 74070 | BDBM50486890 | (~{E})-3-(4-fluorophenyl)prop-2-enoic acid | (e)-3-(4-fluorophenyl)-2-propenoic acid | AKOS000120458 | EINECS 238-214-3 | (E)-p-Fluorocinnamic acid | HMS1396N04 | W-106111 | BCP21432 | 3-(4-fluorophenyl)a

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488191939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191939
• Canonical Smiles: C1=CC(=CC=C1C=CC(=O)O)F
• IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enoic acid
• InChIKey: ISMMYAZSUSYVQG-ZZXKWVIFSA-N
• INCHI: 1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)F
• WGK Germany: 3
• Molecular Weight: 166.15
• Beilstein: 9(4)2029
• Reaxy-Rn: 1365307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1365307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Styrene - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

MAL62 Alpha-glucosidase MAL62 (106 Activities)

Discover Target: MAL62

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 209-210°C
• Molecular Weight: 166.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.043 Da
• Monoisotopic Mass: 166.043 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Ge Tang, Xiao-Hang He, Meng Liu, Hao Hao, Yi Liu, Feng-Lei Jiang.  (2024)  Insights into the Fluorescence Quenching of CdSeS Quantum Dots by Thiophenol Ligands.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.4c01302]

2. Yu Mubing, Qin Tingxiao, Gao Gang, Zu Kelei, Zhang Dongming, Chen Nan, Wang Dengke, Hua Yong, Zhang Hong, Zhao Yong-Biao, Zhu Jiaqi.  (2025)  Multiple defects renovation and phase reconstruction of reduced-dimensional perovskites via in situ chlorination for efficient deep-blue (454 nm) light-emitting diodes.  Light-Science & Applications,  14  (1): (1-10).  [PMID:40011438] [10.1038/s41377-025-01768-3]