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2,6-Dinitro-4-(trifluoromethyl)phenol - 97%, high purity , CAS No.393-77-1

COA

Grade & Purity:

≥97%

Cas Number: 393-77-1
Molecular Weight: 252.11
Beilstein Registry Number: 6(4)2153
MDL number: MFCD00194260
PubChem CID: 164591

In stock

Item Number

D154152

Grouped product items
SKU	Size	Availability	Price
D154152-1g	1g	3	$22.90
D154152-5g	5g	3	$86.90
D154152-25g	25g	3	$258.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	ET-20 \| D2880 \| SCHEMBL9316398 \| 4-(Trifluoromethyl)-2,6-dinitrophenol \| A20434 \| Phenol, 2,6-dinitro-4-(trifluoromethyl)- \| MFCD00194260 \| 2,6-Dinitro-4-trifluoromethylphenol \| 2,6-Dinitro-4-(trifluoromethyl)phenol \| alpha,alpha,alpha-Trifluoro-2,6-dinit
Specifications & Purity	≥97%
Shipped In	Normal

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	Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dinitrophenol - Trifluoromethylbenzene - Nitrobenzene - 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 - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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	2,6-dinitro-4-(trifluoromethyl)phenol
INCHI	InChI=1S/C7H3F3N2O5/c8-7(9,10)3-1-4(11(14)15)6(13)5(2-3)12(16)17/h1-2,13H
InChIKey	FXZGYEWQIGIFMC-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(F)(F)F
Isomeric SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(F)(F)F
Molecular Weight	252.11
Beilstein	6(4)2153
Reaxy-Rn	2150046
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2150046&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
I2403288	Certificate of Analysis	Jun 22, 2024	D154152
I2403289	Certificate of Analysis	Jun 22, 2024	D154152
A2331543	Certificate of Analysis	Nov 08, 2022	D154152
A2331613	Certificate of Analysis	Nov 08, 2022	D154152
A2331640	Certificate of Analysis	Nov 08, 2022	D154152

Chemical and Physical Properties

Solubility	Soluble in Toluene
Molecular Weight	252.100 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	251.999 Da
Monoisotopic Mass	251.999 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299.000
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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