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5-Fluoro-2-(trifluoromethyl)aniline - 97%, high purity , CAS No.827-20-3

COA

Grade & Purity:

≥97%

Cas Number: 827-20-3
Molecular Weight: 179.11
MDL number: MFCD06660353
PubChem CID: 17750836

In stock

Item Number

F122500

Grouped product items
SKU	Size	Availability	Price
F122500-1g	1g	3	$68.90
F122500-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$163.90
F122500-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90

Basic Description

Synonyms	5-Fluoro-2-(trifluoromethyl)aniline \| 827-20-3 \| 2-Amino-4-fluorobenzotrifluoride \| 5-Fluoro-2-trifluoromethylaniline \| MFCD06660353 \| Benzenamine, 5-fluoro-2-(trifluoromethyl)- \| SCHEMBL186087 \| DTXSID50590709 \| LBSBTIMHMYAFFS-UHFFFAOYSA-N \| AKOS005064060 \| AC-9659 \| AM62109 \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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	5-fluoro-2-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H5F4N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2
InChIKey	LBSBTIMHMYAFFS-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)N)C(F)(F)F
Isomeric SMILES	C1=CC(=C(C=C1F)N)C(F)(F)F
Molecular Weight	179.11
Reaxy-Rn	2643551
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2643551&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.

5 results found

Lot Number	Certificate Type	Date	Item
D2516032	Certificate of Analysis	Apr 28, 2025	F122500
K1823182	Certificate of Analysis	Sep 15, 2022	F122500
K1823181	Certificate of Analysis	Sep 15, 2022	F122500
I1417089	Certificate of Analysis	Aug 10, 2022	F122500
G1410017	Certificate of Analysis	Apr 27, 2022	F122500

Chemical and Physical Properties

Melt Point(°C)	29-32°C
Molecular Weight	179.110 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	179.036 Da
Monoisotopic Mass	179.036 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156.000
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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