4-Nitrochalcona - ≥95%(HPLC) , CAS No.1222-98-6

CAS: 1222-98-6 Cat. No.: N159422 Fórmula: C15H11NO3 Peso molecular: 253.26 Beilstein Registry Number: 7(2)429 Número EC: 214-949-5
Disponible para pedir
GRADE & PURITY ≥95%(HPLC)
Synonyms
(E)-3-(4-Nitro-phenyl)-1-phenyl-propenone | NSC-27184 | DTXSID7049211 | MFCD00007382 | NSC636936 | NSC-636936 | CHALCONE, 4-NITRO- | A804866 | Tox21_202976 | 4-Nitrochalcone | 4-07-00-01666 (Beilstein Handbook Reference) | EINECS 209-276-9 | (2E)-3-(4-nit
Storage
Conservar a 2-8°C
Shipped In
Hielo húmedo
Size
Alemania (EU)
USA*
Price
Qty
1g
N159422-1g
Disponible ≥10
12,06€
5g
N159422-5g
4 Disponible

35,49€

45,04€
Guardar 9,55 € (21.19%)
25g
N159422-25g
2 Disponible

112,72€

200,36€
Guardar 87,64 € (43.74%)
100g
N159422-100g
1 Disponible

423,37€

721,87€
Guardar 298,50 € (41.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Conservar a 2-8°C Ships Hielo húmedo 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.

Descripción general

Se ha probado la actividad mutagénica de la 4-nitrochalcona en dos cepas de Salmonella typhimurium (TA98 y TA100) con y sin enzimas microsomales y citosólicas de hígado de rata


Aplicación

la 4-nitrochalcona se utilizó en la síntesis de 2,3-dibromo-4-nitrochalcona.


Specifications

Sinónimos
(E)-3-(4-Nitro-phenyl)-1-phenyl-propenone | NSC-27184 | DTXSID7049211 | MFCD00007382 | NSC636936 | NSC-636936 | CHALCONE, 4-NITRO- | A804866 | Tox21_202976 | 4-Nitrochalcone | 4-07-00-01666 (Beilstein Handbook Reference) | EINECS 209-276-9 | (2E)-3-(4-nit
Especificaciones y pureza
≥95%(HPLC)
Condiciones de almacenamiento de almacenamiento
Conservar a 2-8°C
Enviado en
Hielo húmedo
Pureza
≥95%(HPLC)
Nombres e identificadores
Pubchem Sid488195522
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195522
Sonrisas canónicasC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
IUPAC Name(E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one
InChIKeyWDZGGAFMGIOIQS-DHZHZOJOSA-N
INCHI1S/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H/b11-8+
Isómeros SMILES C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
WGK Alemania 2
RTECS FL7075500
Peso molecular 253.26
Beilstein 7(2)429
Reaxy-Rn 400543
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=400543&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
SuperclassPhenylpropanoids and polyketides
ClaseLinear 1,3-diarylpropanoids
SubclassChalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct ParentRetrochalcones
Alternative Parents Nitrobenzenes  Styrenes  Nitroaromatic compounds  Benzoyl derivatives  Aryl ketones  Enones  Acryloyl compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Retrochalcone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Styrene - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - 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 - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

16 results found

Lot NumberCertificate TypeFechaArticulo
H2229679Certificate of AnalysisJun 09, 2026 N159422
H2125044Certificate of AnalysisJun 11, 2025 N159422
A2415462Certificate of AnalysisJan 23, 2024 N159422
A2415463Certificate of AnalysisJan 23, 2024 N159422
A2415464Certificate of AnalysisJan 23, 2024 N159422
A2415466Certificate of AnalysisJan 23, 2024 N159422
A2415472Certificate of AnalysisJan 23, 2024 N159422
D23261305Certificate of AnalysisMay 08, 2023 N159422
D23261306Certificate of AnalysisMay 08, 2023 N159422
D23261310Certificate of AnalysisMay 08, 2023 N159422
D23261314Certificate of AnalysisMay 08, 2023 N159422
D23261321Certificate of AnalysisMay 08, 2023 N159422
D2326954Certificate of AnalysisMay 08, 2023 N159422
D2326964Certificate of AnalysisMay 08, 2023 N159422
D2326984Certificate of AnalysisMay 08, 2023 N159422
B2311340Certificate of AnalysisFeb 20, 2023 N159422

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Propiedades químicas y físicas
Punto de fusión (°C)163-167℃
Peso molecular253.250 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass253.074 Da
Monoisotopic Mass253.074 Da
Topological Polar Surface Area62.900 Ų
Heavy Atom Count19
Formal Charge0
Complexity345.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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