4-Nitroindoline - ≥97% , CAS No.84807-26-1

CAS: 84807-26-1 Cat. No.: N195276 Summenformel: C₈H₈N₂O₂ Molekulargewicht: 164.16 EG-Nummer: 839-328-1

GRADE & PURITY ≥97%

Synonyms

1H-INDOLE,2,3-DIHYDRO-4-NITRO | EN300-80788 | VTQFDUKXUFJCAO-UHFFFAOYSA-N | 4-Nitroindoline | AC-27799 | DS-2638 | MB04561 | SCHEMBL256723 | MFCD07371624 | Q-102594 | 4-NITRO-2,3-DIHYDRO-1H-INDOLE | AKOS006285329 | DTXSID80530890 | AMY38376 | Z1198172377

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

1H-INDOLE,2,3-DIHYDRO-4-NITRO | EN300-80788 | VTQFDUKXUFJCAO-UHFFFAOYSA-N | 4-Nitroindoline | AC-27799 | DS-2638 | MB04561 | SCHEMBL256723 | MFCD07371624 | Q-102594 | 4-NITRO-2,3-DIHYDRO-1H-INDOLE | AKOS006285329 | DTXSID80530890 | AMY38376 | Z1198172377

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1CNC2=C1C(=CC=C2)[N+](=O)[O-]
• IUPAC Name: 4-nitro-2,3-dihydro-1H-indole
• InChIKey: VTQFDUKXUFJCAO-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-3,9H,4-5H2
• Isomere SMILES: C1CNC2=C1C(=CC=C2)[N+](=O)[O-]
• Molekulargewicht: 164.16
• Reaxy-Rn: 4994797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4994797&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 Organic zwitterions Organic salts 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 - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic salt - Organonitrogen 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive;light sensitive
• Molekulargewicht: 164.160 g/mol
• XLogP3: 1.800
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 84807-26-1, the molecular formula is C8H8N2O2, and the molecular weight is 164.16 g/mol. InChIKey VTQFDUKXUFJCAO-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.