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3-Fluoro-4-iodobenzoic acid - 98%, high purity , CAS No.825-98-9

COA

Grade & Purity:

≥98%

Cas Number: 825-98-9
Molecular Weight: 266.01
MDL number: MFCD07774250
PubChem CID: 22366768
PubChem SID: 504769215

In stock

Item Number

F136784

Grouped product items
SKU	Size	Availability	Price
F136784-250mg	250mg	3	$9.90
F136784-1g	1g	2	$18.90
F136784-5g	5g	2	$36.90
F136784-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$127.90

Basic Description

Synonyms	3-fluoro-4-iodobenzoic acid \| 825-98-9 \| Benzoic acid, 3-fluoro-4-iodo- \| MFCD07774250 \| SCHEMBL788761 \| DTXSID40625231 \| KPMBAMKKTJSICO-UHFFFAOYSA-N \| 3-fluoranyl-4-iodanyl-benzoic acid \| AKOS015890239 \| AM61677 \| CS-W003418 \| GS-4105 \| 3-Fluoro-4-iodobenzoic acid, AldrichCPR \| A
Specifications & Purity	≥98%
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	4-halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Iodobenzenes Fluorobenzenes Aryl iodides Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organoiodide - 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	504769215
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769215
IUPAC Name	3-fluoro-4-iodobenzoic acid
INCHI	InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey	KPMBAMKKTJSICO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)F)I
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)F)I
Molecular Weight	266.01
Reaxy-Rn	2574798
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2574798&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.

4 results found

Lot Number	Certificate Type	Date	Item
K2116198	Certificate of Analysis	Sep 13, 2023	F136784
K2116199	Certificate of Analysis	Sep 13, 2023	F136784
K2116205	Certificate of Analysis	Sep 13, 2023	F136784
H1510262	Certificate of Analysis	Mar 15, 2023	F136784

Chemical and Physical Properties

Molecular Weight	266.010 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	265.924 Da
Monoisotopic Mass	265.924 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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