4-Amino-3-nitrobenzaldehyde - ≥97% , CAS No.51818-99-6

CAS: 51818-99-6 Cat. No.: A589337 Peso molecular: 166.14 Número EC: 835-205-1
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
AM20040613 | BCA81899 | SCHEMBL7888739 | Z1255430149 | AKOS016004757 | C75433 | SCHEMBL2517648 | 3-nitro-4-aminobenzaldehyde | DS-17720 | MFCD17170817 | A871162 | Benzaldehyde, 4-amino-3-nitro- | DTXSID60531007 | FT-0687010 | IIOCECYTBZBBAL-UHFFFAOYSA-N |
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
A589337-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
12,90US$
250mg
A589337-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
29,90US$
1g
A589337-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
59,90US$
5g
A589337-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
279,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
AM20040613 | BCA81899 | SCHEMBL7888739 | Z1255430149 | AKOS016004757 | C75433 | SCHEMBL2517648 | 3-nitro-4-aminobenzaldehyde | DS-17720 | MFCD17170817 | A871162 | Benzaldehyde, 4-amino-3-nitro- | DTXSID60531007 | FT-0687010 | IIOCECYTBZBBAL-UHFFFAOYSA-N |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Protected from light, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasC1=CC(=C(C=C1C=O)[N+](=O)[O-])N
IUPAC Name4-amino-3-nitrobenzaldehyde
InChIKeyIIOCECYTBZBBAL-UHFFFAOYSA-N
INCHI1S/C7H6N2O3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H,8H2
Isómeros SMILES C1=CC(=C(C=C1C=O)[N+](=O)[O-])N
Peso molecular 166.14
Reaxy-Rn 2804257
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804257&ln=

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzaldehydes
Alternative Parents Nitroaromatic compounds  Benzoyl derivatives  Benzaldehydes  Aniline and substituted anilines  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Primary amines  Organic zwitterions  Organic salts  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the 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
SensibilidadAir sensitive;light sensitive
Peso molecular166.130 g/mol
XLogP30.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass166.038 Da
Monoisotopic Mass166.038 Da
Topological Polar Surface Area88.900 Ų
Heavy Atom Count12
Formal Charge0
Complexity190.000
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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