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4'-Iodoacetophenone - 98%, high purity , CAS No.13329-40-3

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 13329-40-3
Molecular Weight: 246.05
Beilstein Registry Number: 7(3)989
EC Number: 236-372-8
MDL number: MFCD00045320
PubChem CID: 72869
PubChem SID: 504754672

In stock

Item Number

I107027

Grouped product items
SKU	Size	Availability	Price
I107027-5g	5g	3	$19.90
I107027-25g	25g	3	$66.90
I107027-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$189.90
I107027-500g	500g	1	$669.90

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Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	4-iodophenyl methyl ketone \| 1-(4-Iodophenyl)ethan-1-one \| NSC 97396 \| 4/'-Iodoacetophenone \| EINECS 236-372-8 \| Fluonex \| BCP22400 \| Ethanone, 1-(4-iodophenyl)- \| InChI=1/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H \| perfluorohexanes \| 4 inverted exclamation
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Acetophenones Benzoyl derivatives Aryl alkyl ketones Iodobenzenes Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organic oxide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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	504754672
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754672
IUPAC Name	1-(4-iodophenyl)ethanone
INCHI	InChI=1S/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey	JZJWCDQGIPQBAO-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=C(C=C1)I
Isomeric SMILES	CC(=O)C1=CC=C(C=C1)I
WGK Germany	3
Molecular Weight	246.05
Beilstein	7(3)989
Reaxy-Rn	1857412
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857412&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.

13 results found

Lot Number	Certificate Type	Date	Item
C2517168	Certificate of Analysis	Mar 08, 2025	I107027
C2517169	Certificate of Analysis	Mar 08, 2025	I107027
C2517170	Certificate of Analysis	Mar 08, 2025	I107027
C2517171	Certificate of Analysis	Mar 08, 2025	I107027
C2517172	Certificate of Analysis	Mar 08, 2025	I107027
K2230762	Certificate of Analysis	Sep 13, 2024	I107027
K2230727	Certificate of Analysis	Sep 13, 2024	I107027
K2230646	Certificate of Analysis	Sep 13, 2024	I107027
K2230677	Certificate of Analysis	Sep 13, 2024	I107027
G2412300	Certificate of Analysis	Apr 26, 2024	I107027
L2031367	Certificate of Analysis	Oct 18, 2022	I107027
L2031366	Certificate of Analysis	Oct 18, 2022	I107027
L2031365	Certificate of Analysis	Oct 18, 2022	I107027

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Chemical and Physical Properties

Solubility	Easily soluble in water.
Sensitivity	Light sensitive.
Melt Point(°C)	82-84°C
Molecular Weight	246.040 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	245.954 Da
Monoisotopic Mass	245.954 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125.000
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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