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3,5-Diiodo-4-methylbenzaldehyde - 95%, high purity , CAS No.861118-00-5

COA

Grade & Purity:

≥95%

Cas Number: 861118-00-5
Molecular Weight: 371.94
PubChem CID: 29931291
PubChem SID: 504770106

In stock

Item Number

D195377

Grouped product items
SKU	Size	Availability	Price
D195377-25mg	25mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
D195377-100mg	100mg	3	$11.90
D195377-250mg	250mg	3	$24.90
D195377-1g	1g	3	$67.90
D195377-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$237.90

Basic Description

Synonyms	3,5-Diiodo-4-methylbenzaldehyde \| 861118-00-5 \| MFCD09032526 \| Benzaldehyde, 3,5-diiodo-4-methyl- \| C8H6I2O \| SCHEMBL15066647 \| 4-methyl-3,5-diiodobenzaldehyde \| KATLVMNYEWAAQO-UHFFFAOYSA-N \| DTXSID401304972 \| AKOS015964546 \| CS-W007200 \| DS-9019 \| SY115319 \| C76790
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Benzaldehydes Iodobenzenes Vinyl iodides Iodoalkenes Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoyl - Benzaldehyde - Aryl-aldehyde - Iodobenzene - Halobenzene - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
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	504770106
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770106
IUPAC Name	3,5-diiodo-4-methylbenzaldehyde
INCHI	InChI=1S/C8H6I2O/c1-5-7(9)2-6(4-11)3-8(5)10/h2-4H,1H3
InChIKey	KATLVMNYEWAAQO-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1I)C=O)I
Isomeric SMILES	CC1=C(C=C(C=C1I)C=O)I
Molecular Weight	371.94
Reaxy-Rn	10657825
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10657825&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2103862	Certificate of Analysis	Aug 19, 2024	D195377
K2103864	Certificate of Analysis	Aug 19, 2024	D195377
K2103865	Certificate of Analysis	Aug 19, 2024	D195377
K2103866	Certificate of Analysis	Aug 19, 2024	D195377
K2103868	Certificate of Analysis	Aug 19, 2024	D195377

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	371.940 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	371.851 Da
Monoisotopic Mass	371.851 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137.000
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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