5-Nitroindazole(Cas No 5401-94-5) ≥98% high purity and research grade

Name: 5-Nitroindazole - ≥98% , CAS No.5401-94-5
Brand: Aladdin Scientific
SKU: N107496
Availability: InStock

5-Nitroindazole - ≥98% , CAS No.5401-94-5

CAS: 5401-94-5 Cat. No.: N107496 Formula: C₇H₅N₃O₂ Peso molecolare: 163.13 Beilstein Registry Number: 7936 Numero EC: 226-451-5

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5-Nitroindazole - ≥98% CAS No(5401-94-5) by Aladdin Scientific

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Disponibile su ordine

QUALITÀ & PUREZZA ≥98%

Synonyms

3-[(2-THIENYLTHIO)METHYL]BENZOICACID | INDAZOLE, 5-NITRO- | N0398 | NSC5032 | NSC-5032 | SMR000306991 | 5-Nitroindazole, >=99% | AS-11700 | EINECS 226-451-5 | STK764725 | 5-nitro-1H-indazol | AM20040676 | SY002722 | 5-23-06-00180 (Beilstein Handbook Refer

Storage

Room temperature

Shipped In

Normal

Scheda delle specifiche

Specifiche Nomi e identificatori Documentazione Dati avanzati Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Domande frequenti e articoli Calcolatori di soluzioni Recensioni Domande frequenti

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Perché questa qualità

≥98% per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.

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Stoccaggio e spedizione

Room temperature Spedizione Normal. Consultare il COA specifico del lotto per le specifiche esatte.

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Documenti di qualità

SDS, COA, scheda tecnica e scheda delle specifiche disponibili per il download. COA specifico del lotto accessibile tramite ricerca per numero di lotto.

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Prova documentale

Citato in 0 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.

Specifiche

Sinonimi

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182701

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182701

Sorrisi canonici

C1=CC2=C(C=C1[N+](=O)[O-])C=NN2

IUPAC Name

5-nitro-1H-indazole

InChIKey

WSGURAYTCUVDQL-UHFFFAOYSA-N

INCHI

1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)

Isomeri SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=NN2

WGK Germania

RTECS

NK7962000

Peso molecolare

163.13

Beilstein

7936

Reaxy-Rn

7936

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7936&ln=

Documentazione

📋 Scheda di dati di sicurezza (SDS)

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✅ Certificato di analisi (COA)

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📊 Scheda tecnica

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🔬 Scheda delle specifiche

Attributi di qualità completi e criteri di accettazione per questa qualità.

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Dati avanzati

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Nitroaromatic compounds Benzenoids Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Nitroaromatic compound - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Descrizione	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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

Struttura 3D

Obiettivi associati (umani)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

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

POLB Tchem DNA polymerase beta (23632 Activities)

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

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

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

PDE10A Tclin Phosphodiesterase 10A (5542 Activities)

Discover Target: PDE10A

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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

CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

Discover Target: CGA

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

Obiettivi associati (non umani)

Salmonella typhimurium (15756 Activities)

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

Plasmodium falciparum (966862 Activities)

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Meccanismi d'azione

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

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.

12 results found

Lot Number	Certificate Type	Data	Oggetto
G2331216	Certificate of Analysis	Aug 09, 2023	N107496
G2331232	Certificate of Analysis	Aug 09, 2023	N107496
G2331235	Certificate of Analysis	Aug 09, 2023	N107496
G2331240	Certificate of Analysis	Aug 09, 2023	N107496
G2331253	Certificate of Analysis	Aug 09, 2023	N107496
I1502054	Certificate of Analysis	May 15, 2023	N107496
B2310833	Certificate of Analysis	Nov 25, 2022	N107496
B2310836	Certificate of Analysis	Nov 25, 2022	N107496
B2310837	Certificate of Analysis	Nov 25, 2022	N107496
B2310840	Certificate of Analysis	Nov 25, 2022	N107496
B2310881	Certificate of Analysis	Nov 25, 2022	N107496
H1814149	Certificate of Analysis	Jun 20, 2022	N107496

Proprietà chimiche e fisiche

Punto di fusione (°C)	208°C
Peso molecolare	163.130 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	163.038 Da
Monoisotopic Mass	163.038 Da
Topological Polar Surface Area	74.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	192.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Domande frequenti e articoli

Indazole (Indazole) Scaffold Explained: How Adjacent Nitrogens, Tautomerism, and Substitution Sites Make H-Bonding and Acid–Base Behavior Tunable

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Indazole

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Recensioni

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5401-94-5, the molecular formula is C7H5N3O2, and the molecular weight is 163.13 g/mol. InChIKey WSGURAYTCUVDQL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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