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2-Bromo-5-nitrophenetole - 98%, high purity , CAS No.423165-33-7

COA

Grade & Purity:

≥98%

Cas Number: 423165-33-7
Molecular Weight: 246.06
MDL number: MFCD03790890
PubChem CID: 22832075
PubChem SID: 504769302

In stock

Item Number

B124293

Grouped product items
SKU	Size	Availability	Price
B124293-1g	1g	3	$20.90
B124293-5g	5g	3	$78.90
B124293-25g	25g	2	$258.90

Basic Description

Synonyms	1-BROMO-2-ETHOXY-4-NITROBENZENE \| 423165-33-7 \| 2-Bromo-5-nitrophenetole \| 2-Bromo-5-nitrophenyl ethyl ether \| MFCD03790890 \| 2-Bromo-4-nitrophenetole \| SCHEMBL4074552 \| DTXSID40628580 \| ZALXYXWTUXLPBJ-UHFFFAOYSA-N \| CL8589 \| AKOS015890200 \| AB91652 \| CS-W014120 \| DS-10215 \| SY04658
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	Phenoxy compounds Phenol ethers Nitroaromatic compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Organic nitro compound - C-nitro compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organobromide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - 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	504769302
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769302
IUPAC Name	1-bromo-2-ethoxy-4-nitrobenzene
INCHI	InChI=1S/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3
InChIKey	ZALXYXWTUXLPBJ-UHFFFAOYSA-N
Smiles	CCOC1=C(C=CC(=C1)[N+](=O)[O-])Br
Isomeric SMILES	CCOC1=C(C=CC(=C1)[N+](=O)[O-])Br
Molecular Weight	246.06
Reaxy-Rn	18331587
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18331587&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
L2411178	Certificate of Analysis	Dec 17, 2024	B124293
L2411179	Certificate of Analysis	Dec 14, 2024	B124293
A1911105	Certificate of Analysis	Nov 11, 2022	B124293
A1911106	Certificate of Analysis	Nov 11, 2022	B124293
I1810147	Certificate of Analysis	Jul 12, 2022	B124293

Chemical and Physical Properties

Melt Point(°C)	52-56°C
Molecular Weight	246.060 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	244.969 Da
Monoisotopic Mass	244.969 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183.000
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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