Name: 4-Nitrochalcone - ≥95%(HPLC) , CAS No.1222-98-6
Brand: Aladdin Scientific
SKU: N159422
Availability: InStock

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

CAS: 1222-98-6 Cat. No.: N159422 Summenformel: C₁₅H₁₁NO₃ Molekulargewicht: 253.26 Beilstein Registry Number: 7(2)429 EG-Nummer: 214-949-5

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

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QUALITÄT & REINHEIT ≥95%(HPLC)

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht Spezifikationen Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Warum diese Qualität

≥95%(HPLC) für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Lagerung & Versand

Store at 2-8°C Versand Wet ice. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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Qualitätsdokumente

SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

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Literaturbeleg

In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Übersicht

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.

Spezifikationen

Synonyme

Spezifikationen & Reinheit

≥95%(HPLC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(HPLC)

Namen und Kennungen

Pubchem Sid

488195522

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195522

Kanonisches Lächeln

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+

Isomere SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

WGK Deutschland

RTECS

FL7075500

Molekulargewicht

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=

Dokumentation

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Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Klasse	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
Beschreibung	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

3D-Struktur

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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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CCRF-CEM (65223 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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A2780 (11979 Activities)

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HeLa (62764 Activities)

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CAL-51 (262 Activities)

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MSTO-211H (316 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Entamoeba histolytica (2676 Activities)

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Candida albicans (78123 Activities)

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L1210 (27553 Activities)

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P388 (20296 Activities)

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Culex quinquefasciatus (137 Activities)

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Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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16 results found

Lot Number	Certificate Type	Datum	Artikel
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

Chemische und physikalische Eigenschaften

Schmelzpunkt (°C)	163-167℃
Molekulargewicht	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

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

Lagerung & Versand

Qualitätsdokumente

Literaturbeleg

Übersicht

Spezifikationen

Dokumentation

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