1,1-Diphényl-2-picrylhydrazine - ≥98%(HPLC) , CAS No.1707-75-1

CAS: 1707-75-1 Cat. No.: D155067 Formule: C₁₈H₁₃N₅O₆ Poids moléculaire: 395.33 Beilstein Registry Number: 770319 Numéro CE: 216-953-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

F0238-0542 | WCBPJVKVIMMEQC-UHFFFAOYSA- | alpha,alpha-Diphenyl-beta-picryl hydrazide | J-010649 | AKOS001011767 | N,N-Diphenyl-N'-picrylhydrazine | 1,1-Diphenyl-2-picryl-hydrazyl, free radical | Bis(epoxypropyl)phenylamine | 2,2-Diphenyl-1-picrylhydrazine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

F0238-0542 | WCBPJVKVIMMEQC-UHFFFAOYSA- | alpha,alpha-Diphenyl-beta-picryl hydrazide | J-010649 | AKOS001011767 | N,N-Diphenyl-N'-picrylhydrazine | 1,1-Diphenyl-2-picryl-hydrazyl, free radical | Bis(epoxypropyl)phenylamine | 2,2-Diphenyl-1-picrylhydrazine

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

508806919

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806919

Sourires canoniques

C1=CC=C(C=C1)N(C2=CC=CC=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

IUPAC Name

1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine

InChIKey

WCBPJVKVIMMEQC-UHFFFAOYSA-N

INCHI

1S/C18H13N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H

Isomères SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

WGK Allemagne

3

Numéro ONU

3224

Poids moléculaire

395.33

Beilstein

770319

Reaxy-Rn

770319

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=770319&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: Phenylhydrazines Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - 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 - Hydrazine derivative - Organic zwitterion - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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

• Point de fusion (°C): ~174°C(dec.)(lit.)
• Poids moléculaire: 395.300 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 395.087 Da
• Monoisotopic Mass: 395.087 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 549.000
• 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