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3-Methoxy-5-(trifluoromethyl)aniline - 98%, high purity , CAS No.349-55-3

COA

Grade & Purity:

≥98%

Cas Number: 349-55-3
Molecular Weight: 191.15
EC Number: 206-487-8
MDL number: MFCD00000393
PubChem CID: 605671
PubChem SID: 488190672

In stock

Item Number

M124257

Grouped product items
SKU	Size	Availability	Price
M124257-250mg	250mg	3	$18.90
M124257-1g	1g	10	$57.90
M124257-5g	5g	2	$171.90
M124257-10g	10g	2	$307.90
M124257-25g	25g	1	$692.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	3-Methoxy-5-(trifluoromethyl)aniline \| DTXSID00188453 \| W-200318 \| 3-n-boc-amino-3-(3-chlorophenyl)propionic acid \| Cadmium, rod, 100mm, diameter 40mm, 99.9% \| GEO-01733 \| PS-8359 \| AKOS005063670 \| Ag2+ \| SCHEMBL130736 \| SY002321 \| Titanium sputtering tar
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	It was used in the synthesis of spleen tyrosine kinase inhibitors based on the phenylamino pyrimidine thiazole.

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	Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Ether - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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

Pubchem Sid	488190672
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190672
IUPAC Name	3-methoxy-5-(trifluoromethyl)aniline
INCHI	InChI=1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3
InChIKey	VTFGJEYZCUWSAM-UHFFFAOYSA-N
Smiles	COC1=CC(=CC(=C1)N)C(F)(F)F
Isomeric SMILES	COC1=CC(=CC(=C1)N)C(F)(F)F
WGK Germany	3
Molecular Weight	191.15
Reaxy-Rn	2098855
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2098855&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.

3 results found

Lot Number	Certificate Type	Date	Item
H1615050	Certificate of Analysis	Apr 10, 2024	M124257
D2319806	Certificate of Analysis	Oct 16, 2021	M124257
L2420416	Certificate of Analysis	Oct 16, 2021	M124257

Chemical and Physical Properties

Sensitivity	Air sensitive
Flash Point(°F)	235.4 °F
Flash Point(°C)	>110℃(230°F)
Melt Point(°C)	50.0-54.0°C
Molecular Weight	191.150 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	191.056 Da
Monoisotopic Mass	191.056 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171.000
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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