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4-Bromo-N-methyl-2-(trifluoromethyl)aniline HCl - 97%, high purity , CAS No.1215206-44-2

COA

Grade & Purity:

≥97%

Cas Number: 1215206-44-2
Molecular Weight: 290.5
PubChem CID: 53216827

In stock

Item Number

B180225

Grouped product items
SKU	Size	Availability	Price
B180225-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90
B180225-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$515.90
B180225-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,762.90

Discover 4-Bromo-N-methyl-2-(trifluoromethyl)aniline HCl by Aladdin Scientific in 97% for only $148.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1215206-44-2 \| 4-Bromo-N-methyl-2-(trifluoromethyl)aniline hydrochloride \| 4-bromo-n-methyl-2-(trifluoromethyl)aniline hcl \| 4-bromo-N-methyl-2-(trifluoromethyl)aniline;hydrochloride \| 4-Bromo-N-methyl-2-(trifluoromethyl)anilinehydrochloride \| DTXSID70681961 \| MFCD13
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organopnictogen compounds Organofluorides Organobromides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenylalkylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Hydrochloride - 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	4-bromo-N-methyl-2-(trifluoromethyl)aniline;hydrochloride
INCHI	InChI=1S/C8H7BrF3N.ClH/c1-13-7-3-2-5(9)4-6(7)8(10,11)12;/h2-4,13H,1H3;1H
InChIKey	NYAIXVCTVBCALD-UHFFFAOYSA-N
Smiles	CNC1=C(C=C(C=C1)Br)C(F)(F)F.Cl
Isomeric SMILES	CNC1=C(C=C(C=C1)Br)C(F)(F)F.Cl
PubChem CID	53216827
Molecular Weight	290.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	290.510 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	288.948 Da
Monoisotopic Mass	288.948 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	14
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	2

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