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N-Trifluoroacetylaniline - >96%（GC), high purity , CAS No.404-24-0

COA

Grade & Purity:

≥96%(GC)

Cas Number: 404-24-0
Molecular Weight: 189.14
MDL number: MFCD00196027
PubChem CID: 67881

In stock

Item Number

T112587

Grouped product items
SKU	Size	Availability	Price	Qty
T112587-1g	1g	3	$45.90
T112587-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$164.90

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Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	Acetanilide, 2,2,2-trifluoro- \| FT-0680636 \| NCGC00172620-01 \| J-506764 \| CS-W015963 \| DTXSID30193398 \| HMS1474P07 \| NSC9474 \| NSC-9474 \| 2,2,2-Trifluoroacetanilide \| SR-01000400085 \| 2,2,2-Trifluoro-N-phenylacetamide \| 2,2,2-trifluoro-N-phenyl-acetamide
Specifications & Purity	≥96%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Anilides
Alternative Parents	N-arylamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anilide - N-arylamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
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	2,2,2-trifluoro-N-phenylacetamide
INCHI	InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKey	SAPQIENQEZURNZ-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)NC(=O)C(F)(F)F
Isomeric SMILES	C1=CC=C(C=C1)NC(=O)C(F)(F)F
PubChem CID	67881
Molecular Weight	189.14

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
G1522065	Certificate of Analysis	Mar 08, 2023	T112587

Chemical and Physical Properties

Melt Point(°C)	87.6°C
Molecular Weight	189.130 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	189.04 Da
Monoisotopic Mass	189.04 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184.000
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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