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2,5-Difluorobenzoic acid - 98%, high purity , CAS No.2991-28-8

COA

Grade & Purity:

≥98%

Cas Number: 2991-28-8
Molecular Weight: 158.1
Beilstein Registry Number: 973351
EC Number: 221-060-6
MDL number: MFCD00002410
PubChem CID: 76339
PubChem SID: 488185250

In stock

Item Number

D120458

Grouped product items
SKU	Size	Availability	Price
D120458-1g	1g	2	$18.90
D120458-5g	5g	9	$72.90
D120458-25g	25g	7	$324.90
D120458-100g	100g	5	$1,169.90
D120458-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$5,263.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	2,5-Difluorobenzoic acid, 98% \| AC-3949 \| W-106966 \| D1699 \| LBQMIAVIGLLBGW-UHFFFAOYSA- \| DTXSID30184024 \| FT-0610351 \| AKOS000122998 \| BCP24598 \| 2,5-Difluorobenzoic acid \| 2,5-difluoro-benzoic acid \| Z89265799 \| A5533 \| BS-3868 \| SY009582 \| EINECS 221-0
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Product Application： 2,5-Difluorobenzoic acid has been quantitated in ground water samples by liquid chromatography-tandem mass spectrometry. 2,5-Difluorobenzoic acid is used in the preparation of hydrazone derivatives, which acts as a potential antibacterial agent.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the 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

Names and Identifiers

Pubchem Sid	488185250
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185250
IUPAC Name	2,5-difluorobenzoic acid
INCHI	InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey	LBQMIAVIGLLBGW-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)C(=O)O)F
Isomeric SMILES	C1=CC(=C(C=C1F)C(=O)O)F
WGK Germany	3
Molecular Weight	158.1
Beilstein	973351
Reaxy-Rn	973351
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973351&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.

7 results found

Lot Number	Certificate Type	Date	Item
L1228030	Certificate of Analysis	Jul 03, 2024	D120458
K1919029	Certificate of Analysis	Sep 05, 2023	D120458
D2303641	Certificate of Analysis	Apr 07, 2023	D120458
F2221293	Certificate of Analysis	Mar 29, 2022	D120458
F2221469	Certificate of Analysis	Mar 29, 2022	D120458
F2221463	Certificate of Analysis	Mar 29, 2022	D120458
C1827184	Certificate of Analysis	Jan 25, 2022	D120458

Chemical and Physical Properties

Solubility	acetone: soluble 25 mg/mL, clear, faintly yellow Insoluble in water.
Melt Point(°C)	127-132°C
Molecular Weight	158.100 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	158.018 Da
Monoisotopic Mass	158.018 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161.000
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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