Skip to the beginning of the images gallery

2,4-Di-tert-butyl-5-nitrophenol - 98%, high purity , CAS No.873055-57-3

COA

Grade & Purity:

≥98%

Cas Number: 873055-57-3
Molecular Weight: 251.33
PubChem CID: 44176225
PubChem SID: 504770293

In stock

Item Number

D195470

Grouped product items
SKU	Size	Availability	Price
D195470-250mg	250mg	4	$557.90
D195470-1g	1g	1	$1,330.90
D195470-5g	5g	1	$5,985.90

Basic Description

Synonyms	HE-0089 \| EC-000.2108 \| A916051 \| CS-0009368 \| DTXSID80657692 \| AKOS015837955 \| YJB05557 \| Phenol, 2,4-bis(1,1-dimethylethyl)-5-nitro- \| C14H21NO3 \| 2,4-di-tert-butyl-5-nitrophenol \| 2,4-Di-tert-butyl-5-nitro-phenol \| 2,4-ditert-butyl-5-nitrophenol \| SCHE
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Nitrophenols
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenols
Alternative Parents	Phenylpropanes Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenol - Nitrobenzene - Phenylpropane - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
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	504770293
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770293
IUPAC Name	2,4-ditert-butyl-5-nitrophenol
INCHI	InChI=1S/C14H21NO3/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15(17)18/h7-8,16H,1-6H3
InChIKey	VIWYWRSFQRIVPI-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=C(C=C1[N+](=O)[O-])O)C(C)(C)C
Isomeric SMILES	CC(C)(C)C1=CC(=C(C=C1[N+](=O)[O-])O)C(C)(C)C
Molecular Weight	251.33
Reaxy-Rn	15514924
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15514924&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.

6 results found

Lot Number	Certificate Type	Date	Item
G23261322	Certificate of Analysis	Jul 19, 2023	D195470
G23261343	Certificate of Analysis	Jul 19, 2023	D195470
G23261340	Certificate of Analysis	Jul 19, 2023	D195470
G23261337	Certificate of Analysis	Jul 19, 2023	D195470
G23261330	Certificate of Analysis	Jul 19, 2023	D195470
G23261326	Certificate of Analysis	Jul 19, 2023	D195470

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	251.320 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	251.152 Da
Monoisotopic Mass	251.152 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	308.000
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