1,3-Benzenedicarbonitrile, 2-(2-(4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)diazenyl)-5-nitro- , CAS No.72828-64-9

CAS: 72828-64-9 Cat. No.: B1279629 Peso molecular: 448.5 Número EC: 276-879-1
Disponible para pedir
Storage
Room temperature
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Size
Estado
Price
Qty
5g
B1279629-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
26,90US$
100g
B1279629-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
32,90US$
500g
B1279629-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
39,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
Sonrisas canónicasCCCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C
IUPAC Name2-[N-butyl-4-[(2,6-dicyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
InChIKeyARSKJXYLLONUAJ-UHFFFAOYSA-N
INCHI1S/C23H24N6O4/c1-4-5-8-28(9-10-33-17(3)30)20-6-7-22(16(2)11-20)26-27-23-18(14-24)12-21(29(31)32)13-19(23)15-25/h6-7,11-13H,4-5,8-10H2,1-3H3
Peso molecular 448.5

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzobenzenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAzobenzenes
Alternative Parents Nitrobenzenes  Nitroaromatic compounds  Dialkylarylamines  Benzonitriles  Aniline and substituted anilines  Aminotoluenes  Carboxylic acid esters  Azo compounds  Amino acids and derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Nitriles  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Azobenzene - Nitrobenzene - Nitroaromatic compound - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzonitrile - Toluene - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - Tertiary amine - C-nitro compound - Carboxylic acid ester - Azo compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular448.500 g/mol
XLogP34.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass448.186 Da
Monoisotopic Mass448.186 Da
Topological Polar Surface Area148.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity768.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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