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

CAS: 32692-19-6 Cat. No.: N138675 Summenformel: C₈H₈N₂O₂ Molekulargewicht: 164.16 EG-Nummer: 251-158-4

QUALITÄT & REINHEIT ≥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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

5-Nitroindolin wurde zur Herstellung von acetylierten Glucosylaminen nach dem Suvorov-Verfahren verwendet

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504753546

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

RTECS

NM1930000

Molekulargewicht

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
    • Klasse Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Salmonella typhimurium (15756 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 92-94°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.