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2,4-Dimethoxy-1-nitrobenzene - 97%, high purity , CAS No.4920-84-7

COA

Grade & Purity:

≥97%

Cas Number: 4920-84-7
Molecular Weight: 183.16
EC Number: 225-551-6
MDL number: MFCD00024210
PubChem CID: 78633
PubChem SID: 504755307

In stock

Item Number

W134173

Grouped product items
SKU	Size	Availability	Price
W134173-1g	1g	5	$9.90
W134173-5g	5g	3	$31.90
W134173-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$141.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	ETHYL-2-BROMOVALERATE \| SY017938 \| VBX4VSP74U \| Ethyl alpha-bromoisovalerate \| 1,3-Dimethoxy-4-nitrobenzene \| AC-11251 \| SCHEMBL4142866 \| 2,4-dimethoxy-1-nitrobenzene \| 2,4-dimethoxy-1-nitro-benzene \| AM62517 \| D4382 \| EINECS 225-551-6 \| Q63396049 \| DTXSI
Specifications & Purity	≥97%
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	Dimethoxybenzenes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Dimethoxybenzene - M-dimethoxybenzene - Methoxyaniline - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - 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 - Organic oxoazanium - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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	504755307
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755307
IUPAC Name	2,4-dimethoxy-1-nitrobenzene
INCHI	InChI=1S/C8H9NO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
InChIKey	XXWIYOBCHKCWNT-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)[N+](=O)[O-])OC
Isomeric SMILES	COC1=CC(=C(C=C1)[N+](=O)[O-])OC
WGK Germany	3
PubChem CID	78633
Molecular Weight	183.16
Reaxy-Rn	2211972

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
A2206331	Certificate of Analysis	Oct 09, 2023	W134173
A2206478	Certificate of Analysis	Oct 09, 2023	W134173
A2206477	Certificate of Analysis	Oct 09, 2023	W134173
E1712128	Certificate of Analysis	Jan 16, 2023	W134173
H1806072	Certificate of Analysis	Apr 26, 2022	W134173

Chemical and Physical Properties

Solubility	Soluble in Toluene
Melt Point(°C)	76 °C
Molecular Weight	183.160 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	183.053 Da
Monoisotopic Mass	183.053 Da
Topological Polar Surface Area	64.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
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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