Nitrobenzene-¹³C₆ - ≥98%(CP),≥99 atom% ¹³C , CAS No.89059-37-0

CAS: 89059-37-0 Cat. No.: N473985 Formule: ¹³C₆H₅NO₂ Poids moléculaire: 129.07 Numéro CE: 693-126-6

GRADE & PURITY ≥98%(CP),≥99 atom% ¹³C

Synonyms

Nitrobenzene 13C6 100 microg/mL in Methanol | NITROBENZENE-1,2,3,4,5,6-13C6 | Benzene-1,2,3,4,5,6-13C6, 1-nitro-; Benzene-13C6, nitro- (9CI); 1-Nitrobenzene-1,2,3,4,5,6-13C6; Nitrobenzene-13C6; Nitrobenzene 13C6 | DTXSID10480612 | Nitrobenzene(13c6) | SCH

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

Nitrobenzene 13C6 100 microg/mL in Methanol | NITROBENZENE-1,2,3,4,5,6-13C6 | Benzene-1,2,3,4,5,6-13C6, 1-nitro-; Benzene-13C6, nitro- (9CI); 1-Nitrobenzene-1,2,3,4,5,6-13C6; Nitrobenzene-13C6; Nitrobenzene 13C6 | DTXSID10480612 | Nitrobenzene(13c6) | SCH

Spécifications et pureté

≥98%(CP),≥99 atom% ¹³C

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

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

Pureté

≥98%(CP),≥99 atom% ¹³C

Noms et identifiants

• Sourires canoniques: C1=CC=C(C=C1)[N+](=O)[O-]
• IUPAC Name: nitro(1,2,3,4,5,6-13C6)cyclohexatriene
• InChIKey: LQNUZADURLCDLV-IDEBNGHGSA-N
• INCHI: 1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1
• Isomères SMILES: [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)[N+](=O)[O-]
• WGK Allemagne: 3
• CAS alternatif: 98-95-3(Unlabeled)
• Poids moléculaire: 129.07
• Reaxy-Rn: 507540
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

• Sensibilité: Moisture sensitive；Light sensitive
• Point d'éclair (°F): 190.4 °F
• Point d'éclair (°C): 88 °C
• Poids moléculaire: 129.066 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 129.052 Da
• Monoisotopic Mass: 129.052 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 102.000
• Isotope Atom Count: 6
• 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