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3-Fluorophenylacetic Acid - >98.0%(GC)(T), high purity , CAS No.331-25-9

COA

Grade & Purity:

≥98%(GC)(T)

Cas Number: 331-25-9
Molecular Weight: 154.14
Beilstein Registry Number: 775898
MDL number: MFCD00004331
PubChem CID: 67617
PubChem SID: 488183967

In stock

Item Number

F156749

Grouped product items
SKU	Size	Availability	Price
F156749-5g	5g	5	$37.90
F156749-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
F156749-25g	25g	2	$112.90
F156749-100g	100g	9	$403.90
F156749-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,816.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	4CP7BU47LD \| AC-2510 \| NSC88344 \| NSC-88344 \| BS-3850 \| m-Fluorophenylacetic acid \| Acetic acid, (m-fluorophenyl)- \| 3-fluoro phenyl acetic acid \| SCHEMBL9113 \| AC-509/25002041 \| Acetic acid, (m-fluorophenyl)-;Benzeneacetic acid, 3-fluoro- \| 3-Fluoropheny
Specifications & Purity	≥98%(GC)(T)
Shipped In	Normal
Product Description	It has been used as building block to synthesize the pentaamine and bis-heterocyclic libraries.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183967
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183967
IUPAC Name	2-(3-fluorophenyl)acetic acid
INCHI	InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey	YEAUYVGUXSZCFI-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)F)CC(=O)O
Isomeric SMILES	C1=CC(=CC(=C1)F)CC(=O)O
WGK Germany	3
Molecular Weight	154.14
Beilstein	775898
Reaxy-Rn	775898
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775898&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
D2422023	Certificate of Analysis	Mar 21, 2024	F156749
K1814151	Certificate of Analysis	Sep 15, 2022	F156749
G2315440	Certificate of Analysis	Oct 22, 2021	F156749
D2313330	Certificate of Analysis	Oct 22, 2021	F156749

Chemical and Physical Properties

Solubility	Slightly soluble in chloroform and methanol. Insoluble in water
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	125 °C
Melt Point(°C)	47℃
Molecular Weight	154.140 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.043 Da
Monoisotopic Mass	154.043 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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