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sodium 2,4,5-trifluorobenzoate - ≥95%, high purity , CAS No.522651-48-5

COA

Grade & Purity:

≥95%

Cas Number: 522651-48-5
Molecular Weight: 197.99
PubChem CID: 23698873
PubChem SID: 488200581

In stock

Item Number

S193734

Grouped product items
SKU	Size	Availability	Price
S193734-5g	5g	9	$14.90
S193734-25g	25g	7	$41.90
S193734-100g	100g	1	$137.90

Basic Description

Synonyms	A829005 \| Sodium 2,4,5-trifluorobenzoate \| Benzoic acid, 2,4,5-trifluoro-, sodium salt (1:1) \| AKOS015995321 \| DTXSID50635720 \| FT-0687105 \| MFCD03094399 \| SY316752 \| 2,4,5-trifluorobenzoate Sodium \| PS-10119 \| CK1076 \| Sodium2,4,5-trifluorobenzoate \| sod
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

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	2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Carboxylic acid salts Organic metal halides Organic oxides Organic sodium salts Organofluorides Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic salt - Organic sodium salt - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Organic cation - 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	488200581
IUPAC Name	sodium;2,4,5-trifluorobenzoate
INCHI	InChI=1S/C7H3F3O2.Na/c8-4-2-6(10)5(9)1-3(4)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1
InChIKey	DFNAYAZQVIYLKO-UHFFFAOYSA-M
Smiles	C1=C(C(=CC(=C1F)F)F)C(=O)[O-].[Na+]
Isomeric SMILES	C1=C(C(=CC(=C1F)F)F)C(=O)[O-].[Na+]
PubChem CID	23698873
Molecular Weight	197.99

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.

5 results found

Lot Number	Certificate Type	Date	Item
K2209857	Certificate of Analysis	Oct 28, 2022	S193734
K2210009	Certificate of Analysis	Oct 28, 2022	S193734
K2210010	Certificate of Analysis	Oct 28, 2022	S193734
E2304371	Certificate of Analysis	Oct 28, 2022	S193734
E2304383	Certificate of Analysis	Oct 28, 2022	S193734

Chemical and Physical Properties

Molecular Weight	198.070 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	197.99 Da
Monoisotopic Mass	197.99 Da
Topological Polar Surface Area	40.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191.000
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	2

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