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4-Bromo-5-butoxy-2-nitroaniline - 98%, high purity , CAS No.1255574-66-3

COA

Grade & Purity:

≥98%

Cas Number: 1255574-66-3
Molecular Weight: 289.1
PubChem CID: 53216236

In stock

Item Number

B180599

Grouped product items
SKU	Size	Availability	Price	Qty
B180599-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$911.90
B180599-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,253.90

Discover 4-Bromo-5-butoxy-2-nitroaniline by Aladdin Scientific in 98% for only $911.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-BROMO-5-BUTOXY-2-NITROANILINE \| 1255574-66-3 \| DTXSID80681492 \| MFCD17214236 \| AKOS015835333 \| Benzenamine, 4-bromo-5-butoxy-2-nitro- \| BS-19696 \| CS-0211530
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	Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides Organopnictogen compounds Organic oxides Primary amines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Aminophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Primary amine - Organohalogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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	4-bromo-5-butoxy-2-nitroaniline
INCHI	InChI=1S/C10H13BrN2O3/c1-2-3-4-16-10-6-8(12)9(13(14)15)5-7(10)11/h5-6H,2-4,12H2,1H3
InChIKey	MGECGULQZHLGPU-UHFFFAOYSA-N
Smiles	CCCCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])Br
Isomeric SMILES	CCCCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])Br
PubChem CID	53216236
Molecular Weight	289.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	289.130 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	288.011 Da
Monoisotopic Mass	288.011 Da
Topological Polar Surface Area	81.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	235.000
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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