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3-Fluorocinnamic Acid - >98.0%(T), high purity , CAS No.458-46-8

COA

Grade & Purity:

≥98%(T)

Cas Number: 458-46-8
Molecular Weight: 166.15
MDL number: MFCD00004383
PubChem CID: 1551219
PubChem SID: 488191964

In stock

Item Number

F156726

Grouped product items
SKU	Size	Availability	Price
F156726-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
F156726-5g	5g	4	$59.90
F156726-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$203.90
F156726-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$731.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	2-Propenoic acid, 3-(3-fluorophenyl)-, (2E)- \| EINECS 207-281-0 \| trans-3-Fluorocinnamic acid, 98% \| EN300-364799 \| GEO-03551 \| 3-(3-FLUOROPHENYL)propenoic acid \| AM20060150 \| m-Fluorocinnamic acid \| m-fluoro-cinnamic acid \| RTSIUKMGSDOSTI-SNAWJCMRSA- \| D
Specifications & Purity	≥98%(T)
Shipped In	Normal

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
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

Names and Identifiers

Pubchem Sid	488191964
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191964
IUPAC Name	(E)-3-(3-fluorophenyl)prop-2-enoic acid
INCHI	InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChIKey	RTSIUKMGSDOSTI-SNAWJCMRSA-N
Smiles	C1=CC(=CC(=C1)F)C=CC(=O)O
Isomeric SMILES	C1=CC(=CC(=C1)F)/C=C/C(=O)O
Molecular Weight	166.15
Reaxy-Rn	1365172
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1365172&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
G2122211	Certificate of Analysis	May 09, 2025	F156726
G2122212	Certificate of Analysis	May 09, 2025	F156726
G2122213	Certificate of Analysis	May 09, 2025	F156726
D2313336	Certificate of Analysis	Jul 13, 2021	F156726

Chemical and Physical Properties

Melt Point(°C)	166 °C
Molecular Weight	166.150 g/mol
XLogP3	2.000
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 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189.000
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

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