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4-Bromo-N-(4-methoxybenzyl)-2-nitroaniline - 98%, high purity , CAS No.957062-86-1

COA

Grade & Purity:

≥98%

Cas Number: 957062-86-1
Molecular Weight: 337.2
PubChem CID: 8370211

In stock

Item Number

B188779

Grouped product items
SKU	Size	Availability	Price	Qty
B188779-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Discover 4-Bromo-N-(4-methoxybenzyl)-2-nitroaniline by Aladdin Scientific in 98% for only $241.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Bromo-N-(4-methoxybenzyl)-2-nitroaniline \| 957062-86-1 \| 4-bromo-N-[(4-methoxyphenyl)methyl]-2-nitroaniline \| DTXSID90429145 \| MFCD09878316 \| AKOS006487333 \| BS-23228 \| CS-0211486
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbenzamines
Alternative Parents	Nitrobenzenes Aniline and substituted anilines Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Alkyl aryl ethers Bromobenzenes Aryl bromides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylbenzamine - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Benzylamine - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Phenylalkylamine - Alkyl aryl ether - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic zwitterion - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organobromide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
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	4-bromo-N-[(4-methoxyphenyl)methyl]-2-nitroaniline
INCHI	InChI=1S/C14H13BrN2O3/c1-20-12-5-2-10(3-6-12)9-16-13-7-4-11(15)8-14(13)17(18)19/h2-8,16H,9H2,1H3
InChIKey	JYXSTHDIPJVKSH-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-]
Isomeric SMILES	COC1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-]
Molecular Weight	337.2
Reaxy-Rn	36411186
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36411186&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	337.170 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	336.011 Da
Monoisotopic Mass	336.011 Da
Topological Polar Surface Area	67.100 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	316.000
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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