Skip to the beginning of the images gallery

4-Chloro-2-(trifluoroacetyl)aniline hydrochloride monohydrate - 95%, high purity , CAS No.173676-59-0

COA

Grade & Purity:

≥95%

Cas Number: 173676-59-0
Molecular Weight: 278.1
PubChem CID: 44181989

In stock

Item Number

C182091

Grouped product items
SKU	Size	Availability	Price
C182091-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C182091-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
C182091-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$88.90
C182091-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$309.90

Discover 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride monohydrate by Aladdin Scientific in 95% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	DTXSID40657739 \| 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate \| 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate \| 4-Chloro-2-(trifluoroacetyl)aniline, hydrochloride hydrate \| MFCD09841379 \| 4-CHLORO-2(1,1-DIHYDROXY-2,2,2-TRIFLUOROE
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous amides Alpha-haloketones Primary amines Organofluorides Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Aniline or substituted anilines - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous amide - Alkyl fluoride - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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	1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone;hydrate;hydrochloride
INCHI	InChI=1S/C8H5ClF3NO.ClH.H2O/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;;/h1-3H,13H2;1H;1H2
InChIKey	FUYMYLYDBVWEHG-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)C(=O)C(F)(F)F)N.O.Cl
Isomeric SMILES	C1=CC(=C(C=C1Cl)C(=O)C(F)(F)F)N.O.Cl
Molecular Weight	278.1
Reaxy-Rn	14766881
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14766881&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.

1 results found

Lot Number	Certificate Type	Date	Item
F1826057	Certificate of Analysis	Jan 04, 2024	C182091

Chemical and Physical Properties

Molecular Weight	278.050 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	276.988 Da
Monoisotopic Mass	276.988 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	231.000
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	3

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