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3-Fluoro-4-(trifluoromethoxy)aniline - 98%, high purity , CAS No.1017779-69-9

COA

Grade & Purity:

≥98%

Cas Number: 1017779-69-9
Molecular Weight: 195.1
PubChem CID: 19436618
PubChem SID: 488199717

In stock

Item Number

F178767

Grouped product items
SKU	Size	Availability	Price
F178767-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$13.90
F178767-1g	1g	2	$37.90
F178767-5g	5g	9	$118.90
F178767-25g	25g	2	$432.90

Basic Description

Synonyms	3-Fluoro-4-(trifluoromethoxy)aniline \| 1017779-69-9 \| Benzenamine, 3-fluoro-4-(trifluoromethoxy)- \| MFCD09832383 \| SCHEMBL7779423 \| DTXSID00598816 \| 3-fluoro-4-trifluoromethoxy-aniline \| BBL102917 \| STL556726 \| AKOS006281839 \| CS-W021916 \| DS-13267 \| SY106975 \| EN300-794514 \| A89707
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Aniline and substituted anilines Fluorobenzenes Aryl fluorides Trihalomethanes Primary amines Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Aniline or substituted anilines - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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

Pubchem Sid	488199717
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199717
IUPAC Name	3-fluoro-4-(trifluoromethoxy)aniline
INCHI	InChI=1S/C7H5F4NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
InChIKey	NDCPAIUBKAIJTK-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1N)F)OC(F)(F)F
Isomeric SMILES	C1=CC(=C(C=C1N)F)OC(F)(F)F
Molecular Weight	195.1
Reaxy-Rn	20511647
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20511647&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2028036	Certificate of Analysis	Feb 07, 2023	F178767
L2205391	Certificate of Analysis	Sep 15, 2022	F178767
L2205392	Certificate of Analysis	Sep 15, 2022	F178767
D2313791	Certificate of Analysis	Sep 15, 2022	F178767
L2205389	Certificate of Analysis	Sep 15, 2022	F178767
L2205390	Certificate of Analysis	Sep 15, 2022	F178767

Chemical and Physical Properties

Molecular Weight	195.110 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	195.031 Da
Monoisotopic Mass	195.031 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
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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