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4-Iodo-3-nitroanisole - ≥98%, high purity , CAS No.58755-70-7

COA

Grade & Purity:

≥98%

Cas Number: 58755-70-7
Molecular Weight: 279.04
Beilstein Registry Number: 2365592
MDL number: MFCD00024195
PubChem CID: 292659
PubChem SID: 504758347

In stock

Item Number

I140454

Grouped product items
SKU	Size	Availability	Price
I140454-5g	5g	10	$53.90
I140454-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90
I140454-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$187.90
I140454-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$673.90

Basic Description

Synonyms	4-Iodo-3-nitroanisole \| 4-Iodo-3-nitrophenyl Methyl Ether
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Iodobenzenes Alkyl aryl ethers Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organoiodide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group 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	504758347
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758347
IUPAC Name	1-iodo-4-methoxy-2-nitrobenzene
INCHI	InChI=1S/C7H6INO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey	JWZODIRSJJQOKY-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)I)[N+](=O)[O-]
Isomeric SMILES	COC1=CC(=C(C=C1)I)[N+](=O)[O-]
Molecular Weight	279.04
Beilstein	2365592
Reaxy-Rn	2365592
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2365592&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
I1511203	Certificate of Analysis	May 06, 2023	I140454
D2315435	Certificate of Analysis	Apr 28, 2023	I140454

Chemical and Physical Properties

Sensitivity	Light Sensitive
Melt Point(°C)	60-63°C
Molecular Weight	279.030 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	278.939 Da
Monoisotopic Mass	278.939 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171.000
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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