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4-Tert-anyl-2，6-dinitrophenol - ≥95%, high purity , CAS No.4097-50-1

COA

Grade & Purity:

≥95%

Cas Number: 4097-50-1
Molecular Weight: 254.24
PubChem CID: 228518

In stock

Item Number

T696524

Grouped product items
SKU	Size	Availability	Price	Qty
T696524-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,498.90

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	Dinitrophenols
Alternative Parents	Phenylpropanes Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dinitrophenol - Nitrobenzene - Phenylpropane - Nitroaromatic compound - 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 oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.
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	4-(2-methylbutan-2-yl)-2,6-dinitrophenol
INCHI	InChI=1S/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3
InChIKey	BTFCDCNHRPIDHR-UHFFFAOYSA-N
Smiles	CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
Isomeric SMILES	CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
PubChem CID	228518
Molecular Weight	254.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	254.240 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	254.09 Da
Monoisotopic Mass	254.09 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	309.000
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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4-Tert-anyl-2，6-dinitrophenol - ≥95%, high purity , CAS No.4097-50-1

Basic Description