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Sodium 4-(trifluoromethyl)benzoate - 97%, high purity , CAS No.25832-58-0

COA

Grade & Purity:

≥97%

Cas Number: 25832-58-0
Molecular Weight: 212.1
PubChem CID: 23717385
PubChem SID: 488200598

In stock

Item Number

S192358

Grouped product items
SKU	Size	Availability	Price
S192358-1g	1g	10	$9.90
S192358-5g	5g	9	$14.90
S192358-25g	25g	8	$66.90
S192358-100g	100g	3	$213.90

Discover Sodium 4-(trifluoromethyl)benzoate by Aladdin Scientific in 97% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Sodium 4-(trifluoromethyl)benzoate \| 25832-58-0 \| Sodium 4-trifluoromethylbenzoate \| sodium;4-(trifluoromethyl)benzoate \| sodium4-(trifluoromethyl)benzoate \| MFCD08458184 \| Benzoic acid, 4-(trifluoromethyl)-, sodium salt (1:1) \| C8H4F3NaO2 \| SCHEMBL1042427 \| sodium p-trifl
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Benzoic acids Benzoyl derivatives Carboxylic acid salts Organic metal halides Carboxylic acids Organooxygen compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Organic salt - Organic sodium salt - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	488200598
IUPAC Name	sodium;4-(trifluoromethyl)benzoate
INCHI	InChI=1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1
InChIKey	MXBWCDKXDWFHJM-UHFFFAOYSA-M
Smiles	C1=CC(=CC=C1C(=O)[O-])C(F)(F)F.[Na+]
Isomeric SMILES	C1=CC(=CC=C1C(=O)[O-])C(F)(F)F.[Na+]
PubChem CID	23717385
Molecular Weight	212.1

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
E2304380	Certificate of Analysis	Oct 27, 2022	S192358
E2304387	Certificate of Analysis	Oct 27, 2022	S192358
E2304384	Certificate of Analysis	Oct 27, 2022	S192358
K2208580	Certificate of Analysis	Oct 27, 2022	S192358
K2208582	Certificate of Analysis	Oct 27, 2022	S192358
K2208623	Certificate of Analysis	Oct 27, 2022	S192358
K2208569	Certificate of Analysis	Oct 27, 2022	S192358

Chemical and Physical Properties

Molecular Weight	212.100 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	212.006 Da
Monoisotopic Mass	212.006 Da
Topological Polar Surface Area	40.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	197.000
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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