2-Nitrodiphenylamine - ≥98%(GC) , CAS No.119-75-5

CAS: 119-75-5 Cat. No.: N138091 Summenformel: C₆H₅NHC₆H₄NO₂ Molekulargewicht: 214.22 Beilstein Registry Number: 2213591 EG-Nummer: 204-348-6

GRADE & PURITY ≥98%(GC)

Synonyms

(2-nitrophenyl)phenylamine | (2-nitro-phenyl)-phenyl-amine | NSC4754 | NSC-4754 | o-(Phenylamino)nitrobenzene | MLS001004443 | (2-NITRO-PHENYL)-ANILINE | NSC105613 | NSC-105613 | ST044502 | NCGC00258274-01 | Nitrodiphenylamine, 2- | N-Phenyl-2-nitrobenzen

Storage

Room temperature

Shipped In

Normal

Übersicht

2-Nitrodiphenylamine is a double-base (DB) rocket propellant stabilizer and its microencapsulation potentially improves the shelf life of DB rocket propellants. It is one of the component of Otto Fuel II, a propellant in torpedoes.Solubilization of 2-nitrodiphenylamine, a hydrophobic polar dye molecule, in aqueous solutions of polystyrene(310)-b-poly(acrylic acid) micelles was investigated.

Specifications

Synonyme

(2-nitrophenyl)phenylamine | (2-nitro-phenyl)-phenyl-amine | NSC4754 | NSC-4754 | o-(Phenylamino)nitrobenzene | MLS001004443 | (2-NITRO-PHENYL)-ANILINE | NSC105613 | NSC-105613 | ST044502 | NCGC00258274-01 | Nitrodiphenylamine, 2- | N-Phenyl-2-nitrobenzen

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504751667
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751667
• Kanonisches Lächeln: C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
• IUPAC Name: 2-nitro-N-phenylaniline
• InChIKey: RUKISNQKOIKZGT-UHFFFAOYSA-N
• INCHI: 1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
• Isomere SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
• WGK Deutschland: 3
• UN-Nummer: 1661
• Verpackungsgruppe: II
• Molekulargewicht: 214.22
• Beilstein: 2213591
• Reaxy-Rn: 2213591
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213591&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Aniline and substituted anilines Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - 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 - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 214.220 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.074 Da
• Monoisotopic Mass: 214.074 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 234.000
• 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