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5-Iodo-1,2,3-trimethoxybenzene - 97.0% (GC), high purity , CAS No.25245-29-8

COA

Grade & Purity:

≥97%(GC)

Cas Number: 25245-29-8
Molecular Weight: 294.09
Beilstein Registry Number: 1529690
MDL number: MFCD01318153
PubChem CID: 298133
PubChem SID: 504758377

In stock

Item Number

I169042

Grouped product items
SKU	Size	Availability	Price
I169042-50mg	50mg	2	$9.90
I169042-250mg	250mg	2	$19.90
I169042-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$61.90
I169042-5g	5g	10	$188.90
I169042-25g	25g	7	$846.90
I169042-100g	100g	2	$3,047.90

Basic Description

Synonyms	5-Iodo-1,2,3-trimethoxybenzene \| 25245-29-8 \| 3,4,5-trimethoxyiodobenzene \| MFCD01318153 \| Benzene, 5-iodo-1,2,3-trimethoxy- \| NSC169997 \| SCHEMBL210358 \| 3,4,5-trimethoxy-iodobenzene \| 3,4,5-trimethoxyphenyl iodide \| C9H11IO3 \| 3,4,5-trimethoxy-iodo-benzene \| 1-iodo-3,4,5-tri
Specifications & Purity	≥97%(GC)
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Iodobenzenes Alkyl aryl ethers Aryl iodides Organoiodides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Ether - Organohalogen compound - Organic oxygen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	504758377
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758377
IUPAC Name	5-iodo-1,2,3-trimethoxybenzene
INCHI	InChI=1S/C9H11IO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3
InChIKey	IWPMQXOVTMABLF-UHFFFAOYSA-N
Smiles	COC1=CC(=CC(=C1OC)OC)I
Isomeric SMILES	COC1=CC(=CC(=C1OC)OC)I
WGK Germany	3
Molecular Weight	294.09
Beilstein	1529690
Reaxy-Rn	1529690
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1529690&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
C2218317	Certificate of Analysis	Jan 13, 2025	I169042
C2218327	Certificate of Analysis	Jan 13, 2025	I169042
C2218599	Certificate of Analysis	Jan 13, 2025	I169042
C2218618	Certificate of Analysis	Jan 13, 2025	I169042
C2218595	Certificate of Analysis	Jan 13, 2025	I169042
C2218590	Certificate of Analysis	Jan 13, 2025	I169042
F2424482	Certificate of Analysis	Feb 15, 2022	I169042
C1927135	Certificate of Analysis	Jan 19, 2022	I169042

Chemical and Physical Properties

Solubility	Insoluble in water.
Sensitivity	Light sensitive
Flash Point(°F)	142.9±27.9°C
Flash Point(°C)	142.9±27.9°C
Boil Point(°C)	312.6±42.0°C
Melt Point(°C)	85-87°C
Molecular Weight	294.090 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	293.975 Da
Monoisotopic Mass	293.975 Da
Topological Polar Surface Area	27.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	140.000
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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