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2-Methyl-1-(4-nitrobenzyl)-1h-imidazole - 95%, high purity , CAS No.56643-86-8

COA

Grade & Purity:

≥95%

Cas Number: 56643-86-8
Molecular Weight: 217.2
PubChem CID: 5047129

In stock

Item Number

M185257

Grouped product items
SKU	Size	Availability	Price
M185257-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
M185257-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
M185257-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,034.90

Discover 2-Methyl-1-(4-nitrobenzyl)-1h-imidazole by Aladdin Scientific in 95% for only $138.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Methyl-1-(4-nitrobenzyl)-1H-imidazole \| 56643-86-8 \| 2-methyl-1-(4-nitrobenzyl)imidazole \| 2-methyl-1-[(4-nitrophenyl)methyl]imidazole \| MFCD02615309 \| 2-methyl-1-[(4-nitrophenyl)methyl]-1H-imidazole \| SCHEMBL7016549 \| DTXSID40407776 \| KBZYPLFJZZWFAW-UHFFFAOYSA-N \| AC637
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	2-methyl-1-[(4-nitrophenyl)methyl]imidazole
INCHI	InChI=1S/C11H11N3O2/c1-9-12-6-7-13(9)8-10-2-4-11(5-3-10)14(15)16/h2-7H,8H2,1H3
InChIKey	KBZYPLFJZZWFAW-UHFFFAOYSA-N
Smiles	CC1=NC=CN1CC2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES	CC1=NC=CN1CC2=CC=C(C=C2)[N+](=O)[O-]
Molecular Weight	217.2
Reaxy-Rn	527499
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=527499&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	217.220 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	217.085 Da
Monoisotopic Mass	217.085 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	246.000
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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