4-Nitroindan - ≥97% , CAS No.34701-14-9

CAS: 34701-14-9 Cat. No.: N339137 Fórmula: C₉H₉NO₂ Peso molecular: 163.17

CALIDAD & PUREZA ≥97%

Synonyms

1H-Indene, 2,3-dihydro-4-nitro- | AKOS015898203 | J-019718 | FT-0619235 | EINECS 252-159-2 | AS-42815 | ZQABKMBXKCJTPM-UHFFFAOYSA-N | NSC 76671 | NSC76671 | NSC-76671 | 4-nitroindane | 2,3-Dihydro-4-nitro-1H-indene | MFCD00078173 | 4-nitro-2,3-dihydro-1H-

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

1H-Indene, 2,3-dihydro-4-nitro- | AKOS015898203 | J-019718 | FT-0619235 | EINECS 252-159-2 | AS-42815 | ZQABKMBXKCJTPM-UHFFFAOYSA-N | NSC 76671 | NSC76671 | NSC-76671 | 4-nitroindane | 2,3-Dihydro-4-nitro-1H-indene | MFCD00078173 | 4-nitro-2,3-dihydro-1H-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504758137

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758137

Sonrisas canónicas

C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-]

IUPAC Name

4-nitro-2,3-dihydro-1H-indene

InChIKey

ZQABKMBXKCJTPM-UHFFFAOYSA-N

INCHI

1S/C9H9NO2/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2

Isómeros SMILES

C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-]

WGK Alemania

3

Peso molecular

163.17

Reaxy-Rn

1871639

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1871639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 105-107° C at 6 mmHg
• Punto de fusión (°C): 41-43° C
• Peso molecular: 163.170 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 187.000
• 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