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2-Chloro-6-iodobenzoic acid - 98%, high purity , CAS No.13420-63-8

COA

Grade & Purity:

≥98%

Cas Number: 13420-63-8
Molecular Weight: 282.46
PubChem CID: 13399374
PubChem SID: 504767395

In stock

Item Number

C190615

Grouped product items
SKU	Size	Availability	Price
C190615-250mg	250mg	3	$11.90
C190615-1g	1g	3	$32.90
C190615-5g	5g	3	$85.90
C190615-10g	10g	3	$148.90
C190615-25g	25g	2	$333.90

Basic Description

Synonyms	2-Chloro-6-iodobenzoic acid \| 13420-63-8 \| 2-Chloro-6-iodobenzoicacid \| MFCD06808823 \| 2-chloro-6-iodo-benzoic acid \| SCHEMBL953775 \| DTXSID60539361 \| KNWHWEKCHWFXFZ-UHFFFAOYSA-N \| AMY19676 \| BCP20548 \| 2-Chloro-6-iodobenzoic acid, 95% \| TD1015 \| AKOS005216807 \| CS-W019356 \| DS-5862
Specifications & Purity	≥98%
Storage Temp	Protected from light,Argon charged
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	2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organochloride - 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	504767395
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767395
IUPAC Name	2-chloro-6-iodobenzoic acid
INCHI	InChI=1S/C7H4ClIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey	KNWHWEKCHWFXFZ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)I)C(=O)O)Cl
Isomeric SMILES	C1=CC(=C(C(=C1)I)C(=O)O)Cl
Molecular Weight	282.46
Reaxy-Rn	2444128
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2444128&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2217428	Certificate of Analysis	Aug 11, 2022	C190615
K2217424	Certificate of Analysis	Aug 11, 2022	C190615
K2217420	Certificate of Analysis	Aug 11, 2022	C190615
K2217422	Certificate of Analysis	Aug 11, 2022	C190615
K2217421	Certificate of Analysis	Aug 11, 2022	C190615
K2217423	Certificate of Analysis	Aug 11, 2022	C190615

Chemical and Physical Properties

Sensitivity	Light sensitive；Hygroscopic
Molecular Weight	282.460 g/mol
XLogP3	2.600
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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