Diphenylamine（DPA） - AR, ≥99%(GC) , CAS No.122-39-4

CAS: 122-39-4 Cat. No.: D112594 Formula: C₁₂H₁₁N Peso molecolare: 169.22 Beilstein Registry Number: 508755 Numero EC: 204-539-4

GRADE & PURITY AR, ≥99%(GC)

Synonyms

Benzenamine, N-phenyl-, styrenated | Caswell No. 398 | Diphenylamine, puriss. p.a., redox indicator, ACS reagent, reag. Ph. Eur., >=98% (GC) | N-(phenyl)aniline | N-Fenylanilin | STK301666 | No-Scald | No-Scald DPA 283 | N-Phenylbenzenamine, styrenated |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinonimi

Benzenamine, N-phenyl-, styrenated | Caswell No. 398 | Diphenylamine, puriss. p.a., redox indicator, ACS reagent, reag. Ph. Eur., >=98% (GC) | N-(phenyl)aniline | N-Fenylanilin | STK301666 | No-Scald | No-Scald DPA 283 | N-Phenylbenzenamine, styrenated |

Specifiche e purezza

AR, ≥99%(GC)

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

FedEx DG Service

Grado

AR

Purezza

≥99%(GC)

Nomi e identificatori

Pubchem Sid

504752136

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752136

Sorrisi canonici

C1=CC=C(C=C1)NC2=CC=CC=C2

IUPAC Name

N-phenylaniline

InChIKey

DMBHHRLKUKUOEG-UHFFFAOYSA-N

INCHI

1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

Isomeri SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2

WGK Germania

3

Numero UN

2811

Gruppo di imballaggio

I

Peso molecolare

169.22

Beilstein

508755

Reaxy-Rn

508755

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508755&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: a small molecule

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol, acetone, benzene, carbon tetrachloride, pyridine and ethyl acetate. Slightly soluble in chloroform.
• Sensibilità: Air Sensitive &light sensitive
• Punto di ebollizione (°C): 302°C
• Punto di fusione (°C): 50-53°C
• Peso molecolare: 169.220 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.089 Da
• Monoisotopic Mass: 169.089 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 116.000
• 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