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3-Methyl-4-(trifluoromethoxy)aniline - 95%, high purity , CAS No.183945-52-0

COA

Grade & Purity:

≥95%

Cas Number: 183945-52-0
Molecular Weight: 191.15
PubChem CID: 10559604

In stock

Item Number

M191718

Grouped product items
SKU	Size	Availability	Price	Qty
M191718-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
M191718-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90

Discover 3-Methyl-4-(trifluoromethoxy)aniline by Aladdin Scientific in 95% for only $14.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-methyl-4-(trifluoromethoxy)aniline \| 183945-52-0 \| 2-methyl-4-amino-1-trifluoromethoxy-benzene \| MFCD18399693 \| Benzenamine, 3-methyl-4-(trifluoromethoxy)- \| SCHEMBL9204260 \| DTXSID70441704 \| XUHCPLRDLVPBFX-UHFFFAOYSA-N \| CL9249 \| AKOS016845798 \| DS-4758 \| SY114435 \| CS-004240
Specifications & Purity	≥95%
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 Aminotoluenes Trihalomethanes Primary amines Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Aniline or substituted anilines - Aminotoluene - Toluene - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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

IUPAC Name	3-methyl-4-(trifluoromethoxy)aniline
INCHI	InChI=1S/C8H8F3NO/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-4H,12H2,1H3
InChIKey	XUHCPLRDLVPBFX-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)N)OC(F)(F)F
Isomeric SMILES	CC1=C(C=CC(=C1)N)OC(F)(F)F
Molecular Weight	191.15
Reaxy-Rn	7581983
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7581983&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.150 g/mol
XLogP3	2.800
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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