4-Nitrochalcone (Cas No 1222-98-6) ≥95%(HPLC) high purity and research grade

4-Nitrochalcone - ≥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 CE: 214-949-5

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4-Nitrochalcone - ≥95%(HPLC) CAS No(1222-98-6) by Aladdin Scientific

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Disponível para encomenda

GRADE & PURITY ≥95%(HPLC)

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

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Why this grade

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

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Storage & shipping

Store at 2-8°C Ships Wet ice 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.

Visão geral

Mutagenic activity of 4-nitrochalcone on two strains of Salmonella typhimurium (TA98 and TA100) with and without rat liver microsomal and cytosolic enzymes has been tested

Application

4-Nitrochalcone was used in the synthesis of 2,3-dibromo-4-nitrochalcone.

Specifications

Sinónimos

Especificações e pureza

≥95%(HPLC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(HPLC)

Nomes e identificadores

Pubchem Sid	488195522
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195522
Sorrisos canónicos	C1=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
InChIKey	WDZGGAFMGIOIQS-DHZHZOJOSA-N
INCHI	1S/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+
SMILES isoméricas	C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
WGK Alemanha	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

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Classe Linear 1,3-diarylpropanoids
    - Subclass Chalcones and dihydrochalcones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	Linear 1,3-diarylpropanoids
Subclass	Chalcones and dihydrochalcones
Intermediate Tree Nodes	Not available
Direct Parent	Retrochalcones
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 Framework	Aromatic 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
Descrição	This 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
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

Estrutura 3D

Alvos associados (humanos)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

Discover Target: TOP2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCRF-CEM (65223 Activities)

Lot Number	Certificate Type	Data	Item
H2229679	Certificate of Analysis	Jun 09, 2026	N159422
H2125044	Certificate of Analysis	Jun 11, 2025	N159422
A2415462	Certificate of Analysis	Jan 23, 2024	N159422
A2415463	Certificate of Analysis	Jan 23, 2024	N159422
A2415464	Certificate of Analysis	Jan 23, 2024	N159422
A2415466	Certificate of Analysis	Jan 23, 2024	N159422
A2415472	Certificate of Analysis	Jan 23, 2024	N159422
D23261305	Certificate of Analysis	May 08, 2023	N159422
D23261306	Certificate of Analysis	May 08, 2023	N159422
D23261310	Certificate of Analysis	May 08, 2023	N159422
D23261314	Certificate of Analysis	May 08, 2023	N159422
D23261321	Certificate of Analysis	May 08, 2023	N159422
D2326954	Certificate of Analysis	May 08, 2023	N159422
D2326964	Certificate of Analysis	May 08, 2023	N159422
D2326984	Certificate of Analysis	May 08, 2023	N159422
B2311340	Certificate of Analysis	Feb 20, 2023	N159422

Ponto de fusão (°C)	163-167℃
Peso molecular	253.250 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	253.074 Da
Monoisotopic Mass	253.074 Da
Topological Polar Surface Area	62.900 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	345.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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

Why this grade

Storage & shipping

Quality documents

Literature proof

Visão geral

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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