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

CAS: 2436-96-6 Cat. No.: D155725 Molecular Weight: 244.21 Beilstein Registry Number: 1579850 EC Number: 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

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 # |

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504754959
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754959
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Melt Point(°C): 125 °C
• Molecular Weight: 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