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3-Chloro-5-fluorobenzoic acid - 97%, high purity , CAS No.25026-64-6

COA

Grade & Purity:

≥97%

Cas Number: 25026-64-6
Molecular Weight: 174.56
MDL number: MFCD00973904
PubChem CID: 2734840
PubChem SID: 488192673

In stock

Item Number

W133200

Grouped product items
SKU	Size	Availability	Price
W133200-1g	1g	5	$9.90
W133200-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$28.90
W133200-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$92.90

Basic Description

Synonyms	3-Chloro-5-fluorobenzoic acid \| 25026-64-6 \| MFCD00973904 \| 3-chloro-5-fluoro-benzoic Acid \| Benzoic acid, 3-chloro-5-fluoro- \| 3-CHLORO-5-FLUOROBENZOICACID \| SCHEMBL572200 \| DTXSID20370530 \| QFMRANWPGGSNHS-UHFFFAOYSA-N \| CL8904 \| AKOS005063919 \| AB07872 \| AC-3931 \| CS-W017483 \| PS-
Specifications & Purity	≥97%
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 Chlorobenzenes Aryl fluorides Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organofluoride - Organooxygen 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	488192673
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192673
IUPAC Name	3-chloro-5-fluorobenzoic acid
INCHI	InChI=1S/C7H4ClFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey	QFMRANWPGGSNHS-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1F)Cl)C(=O)O
Isomeric SMILES	C1=C(C=C(C=C1F)Cl)C(=O)O
PubChem CID	2734840
Molecular Weight	174.56

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
J1618051	Certificate of Analysis	Feb 26, 2024	W133200
E2309098	Certificate of Analysis	May 12, 2022	W133200

Chemical and Physical Properties

Boil Point(°C)	153-154℃
Molecular Weight	174.550 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	173.988 Da
Monoisotopic Mass	173.988 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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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