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 Fórmula: C₇H₅N₃O₂ Peso molecular: 163.13 Beilstein Registry Number: 7936 Número CE: 226-451-5

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

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Disponível para encomenda

GRAU & PUREZA ≥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

Folha de especificações

Especificações Nomes e identificadores Documentação Dados avançados 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 FAQs e artigos Calculadoras de soluções Revisões Perguntas frequentes

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Por que este grau

≥98% para fluxos de trabalho cromatográficos e analíticos sensíveis que exigem interferência mínima da linha de base.

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Armazenamento e envio

Room temperature Envio Normal. Consulte o COA específico do lote para obter as especificações exatas.

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Documentos de qualidade

SDS, COA, ficha técnica e folha de especificações disponíveis para download. COA específico do lote acessível por meio de pesquisa por número de lote.

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Comprovação documental

Citado em 0 publicações revisadas por pares nas áreas de cromatografia, síntese orgânica e reações de acoplamento cruzado.

Especificações

Sinónimos

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488182701

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

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

WGK Alemanha

RTECS

NK7962000

Peso molecular

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=

Documentação

📋 Ficha de dados de segurança (FDS)

Documento abrangente sobre perigos, manuseamento, armazenamento e conformidade regulamentar.

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✅ Certificado de análise (COA)

Dados de qualidade específicos do lote. Introduza o número de lote para obter o COA exato.

Consultar COA →

📊 Ficha técnica

Resumo de referência rápida das especificações e aplicações do produto.

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🔬 Folha de especificações

Atributos de qualidade completos e critérios de aceitação para este grau.

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Dados avançados

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
Descrição	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

Estrutura 3D

Alvos associados (humanos)

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)

Discover Target: MAOB

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

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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

Alvos associados (não humanos)

Salmonella typhimurium (15756 Activities)

Explore this target

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

Mecanismos de ação

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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	Item
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

Propriedades químicas e físicas

Ponto de fusão (°C)	208°C
Peso molecular	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

FAQs e artigos

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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Revisões

Perguntas frequentes

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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