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4-Methoxy-3-(trifluoromethyl)aniline - 98%, high purity , CAS No.393-15-7

COA

Grade & Purity:

≥98%

Cas Number: 393-15-7
Molecular Weight: 191.15
Beilstein Registry Number: 2723972
MDL number: MFCD00043460
PubChem CID: 600705
PubChem SID: 488190621

In stock

Item Number

M135496

Grouped product items
SKU	Size	Availability	Price
M135496-1g	1g	4	$13.90
M135496-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
M135496-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$76.90

Basic Description

Synonyms	4-methoxy-3-(trifluoromethyl)aniline \| 393-15-7 \| 5-amino-2-methoxybenzotrifluoride \| 3-Trifluoromethyl-p-anisidine \| 3-amino-6-methoxybenzotrifluoride \| 5-Amino-2-methoxybenzotrifluoroide \| MFCD00043460 \| 4-methoxy-3-trifluoromethylphenylamine \| Benzenamine, 4-methoxy-3
Specifications & Purity	≥98%
Shipped In	Normal

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	488190621
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190621
IUPAC Name	4-methoxy-3-(trifluoromethyl)aniline
INCHI	InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3
InChIKey	CQJCPOVTPNWVBW-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)N)C(F)(F)F
Isomeric SMILES	COC1=C(C=C(C=C1)N)C(F)(F)F
Molecular Weight	191.15
Beilstein	2723972
Reaxy-Rn	2723972
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2723972&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
E1723122	Certificate of Analysis	Dec 09, 2022	M135496
D2319986	Certificate of Analysis	Dec 09, 2022	M135496

Chemical and Physical Properties

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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