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2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine - 97%, high purity , CAS No.1668-53-7

COA

Grade & Purity:

≥97%

Cas Number: 1668-53-7
Molecular Weight: 397.48
MDL number: MFCD16251125
PubChem CID: 74276
PubChem SID: 488184900

In stock

Item Number

D155484

Grouped product items
SKU	Size	Availability	Price
D155484-1g	1g	2	$24.90
D155484-5g	5g	3	$94.90
D155484-25g	25g	3	$312.90
D155484-100g	100g	4	$1,125.90

View related series

Six-Membered Heterocyclic Compounds (1696) triazines (92)

Basic Description

Synonyms	2,4-Bis(2,4-dimethylphenyl)-6-(2,4-dihydroxyphenyl) -1,3,5-triazine \| 1,3-Benzenediol,4-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl- \| 2,4-bis(2',4'-dimethylphenyl)-6-(2',4'-dihydroxyphenyl)-1,3,5-triazine \| FT-0689962 \| 4,6-Bis-(2,4-dimethylphenyl)-2-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Resorcinols
Alternative Parents	m-Xylenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Resorcinol - M-xylene - Xylene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Triazine - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
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	488184900
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184900
IUPAC Name	4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
INCHI	InChI=1S/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3
InChIKey	FROCQMFXPIROOK-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)C)C)C
Isomeric SMILES	CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)C)C)C
Molecular Weight	397.48
Reaxy-Rn	900962
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=900962&ln=

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

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8 results found

Lot Number	Certificate Type	Date	Item
B2309692	Certificate of Analysis	Oct 10, 2022	D155484
B2309300	Certificate of Analysis	Oct 10, 2022	D155484
B2309470	Certificate of Analysis	Oct 10, 2022	D155484
B2309497	Certificate of Analysis	Oct 10, 2022	D155484
B2309518	Certificate of Analysis	Oct 10, 2022	D155484
B2309434	Certificate of Analysis	Oct 10, 2022	D155484
B2309496	Certificate of Analysis	Oct 10, 2022	D155484
B2309533	Certificate of Analysis	Oct 10, 2022	D155484

Chemical and Physical Properties

Solubility	Soluble in Dimethylformamide
Melt Point(°C)	205 °C
Molecular Weight	397.500 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	397.179 Da
Monoisotopic Mass	397.179 Da
Topological Polar Surface Area	79.100 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	527.000
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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