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1-(Bromomethyl)-4-methoxy-2-nitrobenzene - 97%, high purity , CAS No.57559-52-1

COA

Grade & Purity:

≥97%

Cas Number: 57559-52-1
Molecular Weight: 246.06
PubChem CID: 3747830

In stock

Item Number

B194020

Grouped product items
SKU	Size	Availability	Price	Qty
B194020-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
B194020-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90

Discover 1-(Bromomethyl)-4-methoxy-2-nitrobenzene by Aladdin Scientific in 97% for only $26.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	57559-52-1 \| 1-(bromomethyl)-4-methoxy-2-nitrobenzene \| 4-METHOXY-2-NITROBENZYL BROMIDE \| 4-Methoxy-2-nitrobenzylbromide \| 1-Bromomethyl-4-methoxy-2-nitro-benzene \| MFCD05148455 \| 1-(bromomethyl)-4-methoxy-2-nitro-benzene \| SCHEMBL177095 \| 2-Nitro-4-methoxy-benzylbromid \|
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	Methoxyanilines Phenoxy compounds Anisoles Benzyl bromides Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Alkyl bromides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Benzyl halide - Benzyl bromide - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Alkyl bromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Alkyl halide - Organic oxygen compound - Organic salt - 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

IUPAC Name	1-(bromomethyl)-4-methoxy-2-nitrobenzene
INCHI	InChI=1S/C8H8BrNO3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,5H2,1H3
InChIKey	WZFGFNGYZZHELE-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)CBr)[N+](=O)[O-]
Isomeric SMILES	COC1=CC(=C(C=C1)CBr)[N+](=O)[O-]
Molecular Weight	246.06
Reaxy-Rn	1958781
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1958781&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	246.060 g/mol
XLogP3	2.300
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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