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Sodium 3,5-difluorobenzoate - 95%, high purity , CAS No.530141-39-0

COA

Grade & Purity:

≥95%

Cas Number: 530141-39-0
Molecular Weight: 180.08
PubChem CID: 2779346
PubChem SID: 488193828

In stock

Item Number

S193773

Grouped product items
SKU	Size	Availability	Price
S193773-5g	5g	5	$39.90
S193773-25g	25g	3	$175.90
S193773-100g	100g	1	$631.90

Basic Description

Synonyms	Sodium 3,5-difluorobenzoate \| 530141-39-0 \| sodium;3,5-difluorobenzoate \| SODIUM3,5-DIFLUOROBENZOATE \| MFCD03788553 \| Benzoic acid, 3,5-difluoro-, sodium salt (1:1) \| Sodium 3,5-difluorobenzoate? \| DTXSID40381401 \| sodium 3,5-bis(fluoranyl)benzoate \| CK1075 \| AKOS015995320 \| A
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	3-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 3-halobenzoic acid - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid salt - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - 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	488193828
IUPAC Name	sodium;3,5-difluorobenzoate
INCHI	InChI=1S/C7H4F2O2.Na/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H,10,11);/q;+1/p-1
InChIKey	FXZLBDIGNGMDOK-UHFFFAOYSA-M
Smiles	C1=C(C=C(C=C1F)F)C(=O)[O-].[Na+]
Isomeric SMILES	C1=C(C=C(C=C1F)F)C(=O)[O-].[Na+]
PubChem CID	2779346
Molecular Weight	180.08

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
A2305598	Certificate of Analysis	Dec 19, 2022	S193773
A2305601	Certificate of Analysis	Dec 19, 2022	S193773
A2305856	Certificate of Analysis	Dec 19, 2022	S193773
A2305593	Certificate of Analysis	Dec 19, 2022	S193773

Chemical and Physical Properties

Molecular Weight	180.080 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	180 Da
Monoisotopic Mass	180 Da
Topological Polar Surface Area	40.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155.000
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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