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2-Bromo-6-nitro-4-(trifluoromethyl)aniline - 98%, high purity , CAS No.113170-71-1

COA

Grade & Purity:

≥98%

Cas Number: 113170-71-1
Molecular Weight: 285.02
MDL number: MFCD00042151
PubChem CID: 145492
PubChem SID: 488188186

In stock

Item Number

B165997

Grouped product items
SKU	Size	Availability	Price
B165997-1g	1g	3	$30.90
B165997-5g	5g	3	$117.90
B165997-25g	25g	1	$530.90

Discover 2-Bromo-6-nitro-4-(trifluoromethyl)aniline by Aladdin Scientific in 98% for only $30.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	A856923 \| 2-Bromo-6-nitro-4-(trifluoromethyl)aniline \| W-204806 \| MFCD00042151 \| AKOS015890352 \| DTXSID60150313 \| FT-0617486 \| 4-Amino-3-bromo-5-nitrobenzotrifluoride \| 2-Bromo-6-nitro-4-(trifluoromethyl)aniline, 98% \| MS-11139 \| SCHEMBL1193184
Specifications & Purity	≥98%
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 2-bromoanilines Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organofluorides Organobromides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - 2-bromoaniline - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organofluoride - Organobromide - Primary amine - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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

Pubchem Sid	488188186
IUPAC Name	2-bromo-6-nitro-4-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H4BrF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2
InChIKey	ZUZMWPRSGJTLHW-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C(F)(F)F
Isomeric SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C(F)(F)F
WGK Germany	3
Molecular Weight	285.02
Reaxy-Rn	9330242
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9330242&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
J1916225	Certificate of Analysis	May 07, 2025	B165997
G2320238	Certificate of Analysis	Jul 29, 2023	B165997
G2320240	Certificate of Analysis	Jul 29, 2023	B165997
G2320245	Certificate of Analysis	Jul 29, 2023	B165997
G2320244	Certificate of Analysis	Jul 29, 2023	B165997
G2320242	Certificate of Analysis	Jul 29, 2023	B165997
E2331232	Certificate of Analysis	Aug 09, 2022	B165997

Chemical and Physical Properties

Melt Point(°C)	69-73℃
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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