5-Nitroindoline - ≥97% , CAS No.32692-19-6

CAS: 32692-19-6 Cat. No.: N138675 Fórmula: C₈H₈N₂O₂ Peso molecular: 164.16 Número CE: 251-158-4

GRAU & PUREZA ≥97%

Synonyms

2,3-dihydro-5-nitro-(1h)-indole|5-nitro indoline|5-nitro-2,3-dihydro-1H-indole|5-nitro-2,3-dihydro-indole|5-Nitroindoline|INDOLINE, 5-NITRO-|1H-Indole, 2,3-dihydro-5-nitro-|5-nitroindolin

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

5-Nitroindoline was used to prepare acetylated glucosylamines using the Suvorov procedure

Especificações

Sinónimos

2,3-dihydro-5-nitro-(1h)-indole | 5-nitro indoline | 5-nitro-2,3-dihydro-1H-indole | 5-nitro-2,3-dihydro-indole | 5-Nitroindoline | INDOLINE, 5-NITRO- | 1H-Indole, 2,3-dihydro-5-nitro- | 5-nitroindolin

Especificações e pureza

≥97%

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

≥97%

Nomes e identificadores

Pubchem Sid

504753546

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753546

Sorrisos canónicos

C1CNC2=C1C=C(C=C2)[N+](=O)[O-]

IUPAC Name

5-nitro-2,3-dihydro-1H-indole

InChIKey

WJQWYAJTPPYORB-UHFFFAOYSA-N

INCHI

1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2

SMILES isoméricas

C1CNC2=C1C=C(C=C2)[N+](=O)[O-]

WGK Alemanha

3

RTECS

NM1930000

Peso molecular

164.16

Reaxy-Rn

156653

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Nitroaromatic compounds Secondary alkylarylamines Aralkylamines Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 92-94°C
• Peso molecular: 164.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.059 Da
• Monoisotopic Mass: 164.059 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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

Perguntas frequentes

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 32692-19-6, the molecular formula is C8H8N2O2, and the molecular weight is 164.16 g/mol. InChIKey WJQWYAJTPPYORB-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.