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3-Chloro-4-iodobenzoic acid - 96%, high purity , CAS No.58123-72-1

COA

Grade & Purity:

≥96%

Cas Number: 58123-72-1
Molecular Weight: 282.46
PubChem CID: 18953341
PubChem SID: 504768792

In stock

Item Number

C194046

Grouped product items
SKU	Size	Availability	Price
C194046-250mg	250mg	3	$14.90
C194046-1g	1g	3	$22.90
C194046-5g	5g	2	$109.90
C194046-25g	25g	1	$538.90

Basic Description

Synonyms	3-Chloro-4-iodobenzoic acid \| 58123-72-1 \| MFCD06637386 \| 3-Chloro-4-iodobenzoicacid \| SCHEMBL9212477 \| DTXSID701310825 \| TD1023 \| AKOS017559905 \| DS-8674 \| SY041744 \| CS-0041182 \| EN300-100862 \| A869524 \| Z1269153522
Specifications & Purity	≥96%
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 Chlorobenzenes Aryl iodides Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organoiodides Organochlorides 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 - Iodobenzene - Halobenzene - Chlorobenzene - Aryl iodide - Aryl halide - Aryl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organochloride - Organohalogen compound - 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	504768792
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768792
IUPAC Name	3-chloro-4-iodobenzoic acid
INCHI	InChI=1S/C7H4ClIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey	UTKNSLUWERDCPS-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)Cl)I
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)Cl)I
Molecular Weight	282.46
Reaxy-Rn	3240815
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240815&ln=

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
B2223613	Certificate of Analysis	Dec 19, 2024	C194046
B2223612	Certificate of Analysis	Dec 19, 2024	C194046
B2223679	Certificate of Analysis	Dec 19, 2024	C194046
B2223784	Certificate of Analysis	Dec 19, 2024	C194046

Chemical and Physical Properties

Molecular Weight	282.460 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	281.894 Da
Monoisotopic Mass	281.894 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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