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

CAS: 34701-14-9 Cat. No.: N339137 Formule: C₉H₉NO₂ Poids moléculaire: 163.17

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504758137

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 105-107° C at 6 mmHg
• Point de fusion (°C): 41-43° C
• Poids moléculaire: 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