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(2，6-Dimethylphenyl)(1H-imidazol-4-yl)methanol - ≥95%, high purity , CAS No.78892-28-1

COA

Grade & Purity:

≥95%

Cas Number: 78892-28-1
Molecular Weight: 202.25
PubChem CID: 3061228

In stock

Item Number

M770083

Grouped product items
SKU	Size	Availability	Price	Qty
M770083-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$223.90
M770083-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$459.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Not available
Direct Parent	m-Xylenes
Alternative Parents	Imidazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	M-xylene - Heteroaromatic compound - Imidazole - Azole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
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	(2,6-dimethylphenyl)-(1H-imidazol-5-yl)methanol
INCHI	InChI=1S/C12H14N2O/c1-8-4-3-5-9(2)11(8)12(15)10-6-13-7-14-10/h3-7,12,15H,1-2H3,(H,13,14)
InChIKey	OCHDQYRNWAVERA-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C)C(C2=CN=CN2)O
Isomeric SMILES	CC1=C(C(=CC=C1)C)C(C2=CN=CN2)O
PubChem CID	3061228
Molecular Weight	202.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.250 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	202.111 Da
Monoisotopic Mass	202.111 Da
Topological Polar Surface Area	48.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	200.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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