Skip to the beginning of the images gallery

4,5-Bis(hydroxymethyl)-2-phenylimidazole - >95.0%, high purity , CAS No.61698-32-6

COA

Grade & Purity:

≥95%

Cas Number: 61698-32-6
Molecular Weight: 204.23
MDL number: MFCD00047017
PubChem CID: 109115
PubChem SID: 504756664

In stock

Item Number

B152377

Grouped product items
SKU	Size	Availability	Price
B152377-200mg	200mg	3	$45.90
B152377-1g	1g	5	$176.90
B152377-5g	5g	1	$606.90

View related series

Five-Membered Heterocyclic Compounds (2064) Imidazoles (222)

Basic Description

Synonyms	4,5-Dihydroxymethyl-2-phenylimidazole \| AM62641 \| FT-0711369 \| 2-Phenyl-4,5-dihydroxymethylimidazole \| 1H-Imidazole-4,5-dimethanol, 2-phenyl- \| B4932 \| DTXSID3069487 \| EINECS 262-911-1 \| MFCD00047017 \| T71126 \| UUQQGGWZVKUCBD-UHFFFAOYSA-N \| LS-13938 \| 2-p
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	2,4,5-trisubstituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylimidazole - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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

Pubchem Sid	504756664
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756664
IUPAC Name	[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol
INCHI	InChI=1S/C11H12N2O2/c14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13)
InChIKey	UUQQGGWZVKUCBD-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=NC(=C(N2)CO)CO
Isomeric SMILES	C1=CC=C(C=C1)C2=NC(=C(N2)CO)CO
Molecular Weight	204.23
Reaxy-Rn	785447
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=785447&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
I1909025	Certificate of Analysis	Jun 12, 2023	B152377
E2330055	Certificate of Analysis	Jun 07, 2023	B152377

Chemical and Physical Properties

Melt Point(°C)	288 °C
Molecular Weight	204.220 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	204.09 Da
Monoisotopic Mass	204.09 Da
Topological Polar Surface Area	69.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	195.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration