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4-Bromo-2-nitro-5-(trifluoromethyl)aniline - 97%, high purity , CAS No.683241-86-3

COA

Grade & Purity:

≥97%

Cas Number: 683241-86-3
Molecular Weight: 285
PubChem CID: 11694872

In stock

Item Number

B186002

Grouped product items
SKU	Size	Availability	Price
B186002-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
B186002-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
B186002-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90

Discover 4-Bromo-2-nitro-5-(trifluoromethyl)aniline by Aladdin Scientific in 97% for only $17.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-bromo-2-nitro-5-(trifluoromethyl)aniline \| 683241-86-3 \| MFCD09263997 \| 4-BROMO-5-(TRIFLUOROMETHYL)-2-NITROBENZENAMINE \| 5-Amino-2-bromo-4-nitrobenzotrifluoride \| SCHEMBL1796880 \| DTXSID70470756 \| AMY30111 \| AKOS005073499 \| AB50364 \| MD-0064 \| s10856 \| SY101855 \| CS-0041158 \| FT-0
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	Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organofluorides Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Organic salt - Organic oxygen compound - Primary amine - Organic zwitterion - Amine - 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-2-nitro-5-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H4BrF3N2O2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H,12H2
InChIKey	PXTYWQVWAJBPIB-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1N)[N+](=O)[O-])Br)C(F)(F)F
Isomeric SMILES	C1=C(C(=CC(=C1N)[N+](=O)[O-])Br)C(F)(F)F
Molecular Weight	285
Reaxy-Rn	10437598
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10437598&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	285.020 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	283.941 Da
Monoisotopic Mass	283.941 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	256.000
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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