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

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

GRADE & PURITY ≥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

Specifications

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-

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: 504758137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758137
• Sorrisos canónicos: 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
• SMILES isoméricas: C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-]
• WGK Alemanha: 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
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Ponto de ebulição (°C): 105-107° C at 6 mmHg
• Ponto de fusão (°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