4-(3-Aminophenyl)benzonitrile - ≥97% , CAS No.149505-72-6

CAS: 149505-72-6 Cat. No.: A468768 Summenformel: C₁₃H₁₀N₂ Molekulargewicht: 194.237 EG-Nummer: 624-506-1

GRADE & PURITY ≥97%

Synonyms

AS-75648 | ZFA50572 | [1,1'-Biphenyl]-4-carbonitrile, 3'-amino- | 3'-amino(1,1'-biphenyl)-4-carbonitrile | 4-(3-Aminophenyl)benzonitrile | 3'-Amino-biphenyl-4-carbonitrile | 3'-Aminobiphenyl-4-carbonitrile | 4-(3-Aminophenyl)benzonitrile, 97% | FMVREQADBP

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

AS-75648 | ZFA50572 | [1,1'-Biphenyl]-4-carbonitrile, 3'-amino- | 3'-amino(1,1'-biphenyl)-4-carbonitrile | 4-(3-Aminophenyl)benzonitrile | 3'-Amino-biphenyl-4-carbonitrile | 3'-Aminobiphenyl-4-carbonitrile | 4-(3-Aminophenyl)benzonitrile, 97% | FMVREQADBP

Spezifikationen & Reinheit

≥97%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488193013

Kanonisches Lächeln

C1=CC(=CC(=C1)N)C2=CC=C(C=C2)C#N

IUPAC Name

4-(3-aminophenyl)benzonitrile

InChIKey

FMVREQADBPVLTH-UHFFFAOYSA-N

INCHI

1S/C13H10N2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8H,15H2

Isomere SMILES

C1=CC(=CC(=C1)N)C2=CC=C(C=C2)C#N

Molekulargewicht

194.237

Reaxy-Rn

14660824

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14660824&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenylcarbonitriles
• Alternative Parents: Benzonitriles Aniline and substituted anilines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenylcarbonitrile - Aniline or substituted anilines - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 119-123°C
• Molekulargewicht: 194.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.084 Da
• Monoisotopic Mass: 194.084 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 245.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 149505-72-6, the molecular formula is C13H10N2, and the molecular weight is 194.237 g/mol. InChIKey FMVREQADBPVLTH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.