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(2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone - 98%, high purity , CAS No.91874-85-0

COA

Grade & Purity:

≥98%

Cas Number: 91874-85-0
Molecular Weight: 200.24
PubChem CID: 15743057

In stock

Item Number

D195844

Grouped product items
SKU	Size	Availability	Price
D195844-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
D195844-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
D195844-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$165.90
D195844-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$431.90
D195844-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,284.90
D195844-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,311.90

Basic Description

Synonyms	(2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone \| 91874-85-0 \| 4-(2',3'-Dimethylbenzoyl)imidazole \| (2,3-dimethylphenyl)-(1H-imidazol-5-yl)methanone \| MFCD21332884 \| Medetomidine Impurity 6 \| (2,3-Dimethylphenyl)(4-imidazolyl)methanone \| (2,3-Dimethylphenyl)(1H-imidazo
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Aryl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Aryl-phenylketones
Alternative Parents	o-Xylenes Benzoyl derivatives Carbonylimidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-phenylketone - Benzoyl - Xylene - O-xylene - Imidazole-4-carbonyl group - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl 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	(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methanone
INCHI	InChI=1S/C12H12N2O/c1-8-4-3-5-10(9(8)2)12(15)11-6-13-7-14-11/h3-7H,1-2H3,(H,13,14)
InChIKey	RXMJMOMMINVJMY-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C(=O)C2=CN=CN2)C
Isomeric SMILES	CC1=C(C(=CC=C1)C(=O)C2=CN=CN2)C
Molecular Weight	200.24
Reaxy-Rn	5335124
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5335124&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	200.240 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	200.095 Da
Monoisotopic Mass	200.095 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242.000
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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