2,2'-Dinitrobiphenyl - ≥99%(GC) , CAS No.2436-96-6

CAS: 2436-96-6 Cat. No.: D155725 Peso molecular: 244.21 Beilstein Registry Number: 1579850 Número EC: 219-435-4

GRADE & PURITY ≥99%(GC)

Synonyms

NSC 13356 | NSC 163357 | 2,2'-Dinitrodiphenyl | 2, 2,2'-dinitro- | SLW94EVQ4P | 1-(7-chloro-4-quinolyl)hydrazine | 2,2'-Dinitrobiphenyl, 97% | FEMA No. 3306 | 2,2'-bisnitro-1,1'-biphenyl | AC-20962 | 2,2/'-Dinitrobiphenyl | 2,2'-Dinitro-1,1'-biphenyl # |

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

NSC 13356 | NSC 163357 | 2, 2'-Dinitrodiphenyl | 2, 2, 2'-dinitro- | SLW94EVQ4P | 1-(7-chloro-4-quinolyl)hydrazine | 2, 2'-Dinitrobiphenyl, 97% | FEMA No. 3306 | 2, 2'-bisnitro-1, 1'-biphenyl | AC-20962 | 2, 2/'-Dinitrobiphenyl | 2, 2'-Dinitro-1, 1'-biphenyl # |

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 504754959
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754959
• Sonrisas canónicas: C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: 1-nitro-2-(2-nitrophenyl)benzene
• InChIKey: QAFJHDNFUMKVIE-UHFFFAOYSA-N
• INCHI: 1S/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H
• Isómeros SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]
• WGK Alemania: 3
• Peso molecular: 244.21
• Beilstein: 1579850
• Reaxy-Rn: 1579851
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1579851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 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 - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: C-nitro compound - biphenyls

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

• Solubilidad: Soluble in Toluene
• Punto de fusión (°C): 125 °C
• Peso molecular: 244.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.048 Da
• Monoisotopic Mass: 244.048 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 291.000
• 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