2,5-Diaminobenzonitrile - ≥97% , CAS No.14346-13-5

CAS: 14346-13-5 Cat. No.: D587236 Summenformel: C₇H₇N₃ Molekulargewicht: 133.15

QUALITÄT & REINHEIT ≥97%

Synonyms

DTXSID50545810 | SCHEMBL615129 | 2,5-Diaminobenzonitrile | 2-cyano-1,4-phenylenediamine | FT-0620007 | YSWG726 | EN300-7141843 | 2-Cyano-p-phenylenediamine | 2-Cyano-1,4-diaminobenzene | A808068 | AKOS003622221 | MFCD00077966 | AS-13544 | YVXLBNXZXSWLIK-U

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

DTXSID50545810 | SCHEMBL615129 | 2,5-Diaminobenzonitrile | 2-cyano-1,4-phenylenediamine | FT-0620007 | YSWG726 | EN300-7141843 | 2-Cyano-p-phenylenediamine | 2-Cyano-1,4-diaminobenzene | A808068 | AKOS003622221 | MFCD00077966 | AS-13544 | YVXLBNXZXSWLIK-U

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508807746

Kanonisches Lächeln

C1=CC(=C(C=C1N)C#N)N

IUPAC Name

2,5-diaminobenzonitrile

InChIKey

YVXLBNXZXSWLIK-UHFFFAOYSA-N

INCHI

1S/C7H7N3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,9-10H2

Isomere SMILES

C1=CC(=C(C=C1N)C#N)N

Molekulargewicht

133.15

Reaxy-Rn

2358932

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2358932&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Aniline and substituted anilines Nitriles Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 133.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.064 Da
• Monoisotopic Mass: 133.064 Da
• Topological Polar Surface Area: 75.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 157.000
• 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