2-Methyl-5-nitroindole - ≥97% , CAS No.7570-47-0

CAS: 7570-47-0 Cat. No.: M469643 Fórmula: C₉H₈N₂O₂ Peso molecular: 176.18 Número EC: 624-684-0

GRADE & PURITY ≥97%

Synonyms

SY007449 | MFCD00090335 | DTXSID40299658 | Oprea1_525205 | Previcox Chewable Tablets | 2-Methyl-5-nitroindole, 97% | SR-01000634487-1 | 70T | GW-2016 | NSC-131898 | AKOS000271327 | 5-Nitro-2-methylindole | D94874 | A838491 | SCHEMBL317330 | Z56758561 | FT

Storage

Protected from light,Room temperature

Descripción general

Description

Reactant for preparation of:βCyanoindolesMethanoindolesProtein kinase C theta (PKCθ) inhibitorsTubulin polymerization inhibitorsPeptide-mimetic protease-activated receptor-1 (PAR-1) antagonistsCytosolic phospholipase A2αCyclooxygenase (COX) inhibitorsSerotonin 5-HT6 Receptor LigandsHeterocyclic β-substituted alanine derivatives

Application

Reactant for preparation of:β

Cyanoindoles

Methanoindoles

Protein kinase C theta (PKCθ) inhibitors

Tubulin polymerization inhibitors

Peptide-mimetic protease-activated receptor-1 (PAR-1) antagonists

Cytosolic phospholipase A2α

Cyclooxygenase (COX) inhibitors

Serotonin 5-HT6 Receptor Ligands

Heterocyclic β-substituted alanine derivatives；

Specifications

Sinónimos

SY007449 | MFCD00090335 | DTXSID40299658 | Oprea1_525205 | Previcox Chewable Tablets | 2-Methyl-5-nitroindole, 97% | SR-01000634487-1 | 70T | GW-2016 | NSC-131898 | AKOS000271327 | 5-Nitro-2-methylindole | D94874 | A838491 | SCHEMBL317330 | Z56758561 | FT

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504758283
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758283
• Sonrisas canónicas: CC1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
• IUPAC Name: 2-methyl-5-nitro-1H-indole
• InChIKey: IDJGRXQMAHESOD-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
• Isómeros SMILES: CC1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
• Peso molecular: 176.18
• Reaxy-Rn: 153023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153023&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Nitroaromatic compounds Substituted pyrroles Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Nitroaromatic compound - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: Not available

Data sources

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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 176-178
• Peso molecular: 176.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.059 Da
• Monoisotopic Mass: 176.059 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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

The CAS Number is 7570-47-0, the molecular formula is C9H8N2O2, and the molecular weight is 176.18 g/mol. InChIKey IDJGRXQMAHESOD-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.