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2-Acetamido-1-nitro-3,5,6-trifluorobenzene - 96%, high purity , CAS No.388-11-4

COA

Grade & Purity:

≥96%

Cas Number: 388-11-4
Molecular Weight: 234.1
PubChem CID: 235936

In stock

Item Number

A184226

Grouped product items
SKU	Size	Availability	Price	Qty
A184226-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,443.90
A184226-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,601.90

Discover 2-Acetamido-1-nitro-3,5,6-trifluorobenzene by Aladdin Scientific in 96% for only $1,443.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	388-11-4 \| n-(3,4,6-trifluoro-2-nitrophenyl)acetamide \| 2-ACETAMIDO-1-NITRO-3,5,6-TRIFLUOROBENZENE \| NSC37843 \| SCHEMBL21684641 \| DTXSID50284590 \| 2-Nitro-3,4,6-trifluoroacetanilide \| MFCD11504834 \| NSC-37843 \| AKOS015837963 \| SB76862 \| BS-25094
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Acetanilides
        Level6 Haloacetanilides
        Level7 O-haloacetanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Acetanilides - Haloacetanilides
Direct Parent	O-haloacetanilides
Alternative Parents	P-haloacetanilides M-haloacetanilides Nitrobenzenes N-acetylarylamines Nitroaromatic compounds Fluorobenzenes Aryl fluorides Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organofluorides Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-haloacetanilide - M-haloacetanilide - P-haloacetanilide - N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
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	N-(3,4,6-trifluoro-2-nitrophenyl)acetamide
INCHI	InChI=1S/C8H5F3N2O3/c1-3(14)12-7-5(10)2-4(9)6(11)8(7)13(15)16/h2H,1H3,(H,12,14)
InChIKey	CAJSFXVPIMWHPO-UHFFFAOYSA-N
Smiles	CC(=O)NC1=C(C(=C(C=C1F)F)F)[N+](=O)[O-]
Isomeric SMILES	CC(=O)NC1=C(C(=C(C=C1F)F)F)[N+](=O)[O-]
Molecular Weight	234.1
Reaxy-Rn	2752879
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2752879&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	234.130 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	234.025 Da
Monoisotopic Mass	234.025 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	297.000
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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