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2-Bromo-4-chloro-5-(trifluoromethyl)aniline - 98%, high purity , CAS No.193090-44-7

COA

Grade & Purity:

≥98%

Cas Number: 193090-44-7
Molecular Weight: 274.47
PubChem CID: 12627355

In stock

Item Number

B191830

Grouped product items
SKU	Size	Availability	Price	Qty
B191830-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
B191830-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90

Discover 2-Bromo-4-chloro-5-(trifluoromethyl)aniline by Aladdin Scientific in 98% for only $15.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-bromo-4-chloro-5-(trifluoromethyl)aniline \| 193090-44-7 \| 2-Bromo-4-chloro-5-(trifluoromethyl)benzenamine \| 2-bromo-4-chloro-5-trifluoromethylaniline \| PYRAZINEN-OXIDE \| SCHEMBL3341258 \| DTXSID70504863 \| XVITUACFGUYVKU-UHFFFAOYSA-N \| MFCD11520118 \| AKOS005073401 \| LD-0070 \|
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	2-bromoanilines Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Primary amines Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Alkyl fluoride - Organobromide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - 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	2-bromo-4-chloro-5-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H4BrClF3N/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2H,13H2
InChIKey	XVITUACFGUYVKU-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1N)Br)Cl)C(F)(F)F
Isomeric SMILES	C1=C(C(=CC(=C1N)Br)Cl)C(F)(F)F
Molecular Weight	274.47
Reaxy-Rn	4424698
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4424698&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	274.460 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	272.917 Da
Monoisotopic Mass	272.917 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	187.000
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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