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5-Bromo-2-nitro-4-(trifluoromethoxy)aniline - 98%, high purity , CAS No.755030-18-3

COA

Grade & Purity:

≥98%

Cas Number: 755030-18-3
Molecular Weight: 301
PubChem CID: 45933709

In stock

Item Number

B186429

Grouped product items
SKU	Size	Availability	Price	Qty
B186429-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$481.90
B186429-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,855.90

Discover 5-Bromo-2-nitro-4-(trifluoromethoxy)aniline by Aladdin Scientific in 98% for only $481.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Bromo-2-nitro-4-(trifluoromethoxy)aniline \| 755030-18-3 \| SCHEMBL4855795 \| DTXSID50672897 \| SXPYDXMWPDFJSH-UHFFFAOYSA-N \| MFCD12756436 \| AKOS015834013 \| SB82875 \| PS-10445 \| CS-0083377 \| D96232 \| 5-Bromo-2-nitro-4-(trifluoromethoxy)aniline 98% \| A865670
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 Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Aniline and substituted anilines Phenoxy compounds Phenol ethers Nitroaromatic compounds Bromobenzenes Aryl bromides Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organic oxides Organobromides Hydrocarbon derivatives Organofluorides Organooxygen compounds Primary amines Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Trihalomethane - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl fluoride - Primary amine - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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	5-bromo-2-nitro-4-(trifluoromethoxy)aniline
INCHI	InChI=1S/C7H4BrF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2
InChIKey	SXPYDXMWPDFJSH-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1Br)OC(F)(F)F)[N+](=O)[O-])N
Isomeric SMILES	C1=C(C(=CC(=C1Br)OC(F)(F)F)[N+](=O)[O-])N
Molecular Weight	301
Reaxy-Rn	14294473
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14294473&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	301.020 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	299.936 Da
Monoisotopic Mass	299.936 Da
Topological Polar Surface Area	81.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	271.000
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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