Benzalmalonitrile - ≥98%(GC) , CAS No.2700-22-3

CAS: 2700-22-3 Cat. No.: B151983 Formula: C₁₀H₆N₂ Peso molecolare: 154.17 Beilstein Registry Number: 9895 Numero EC: 220-283-6

GRADE & PURITY ≥98%(GC)

Synonyms

.alpha.-Cyanocinnamonitrile | 2-(phenylmethylidene)propanedinitrile | 2-(phenylmethylene)Propanedinitrile | TL 237 | B0947 | beta,beta-Styrenedicarbonitrile | 2-Phenyl-1,1-dicyanoethylene | Malonodinitrile, benzylidene | alpha-Cyanocinnamonitrile | Benzyl

Storage

Room temperature

Shipped In

Normale

Panoramica

Il benzilidenemalonitrile subisce una reazione solida/vapore rapida e priva di catalizzatori con le ammine alchiliche primarie per produrre N-benzilidene-ammina. Subisce una reazione di addizione con cloruro di ottile e decilzirconcene. È un potenziale substrato per la metano monoossigenasi solubile.
Il benzilidenemalonitrile è stato utilizzato nel saggio a fluorescenza per la determinazione dell'attività della metano monoossigenasi solubile in soluzione.

Specifications

Sinonimi

.alpha.-Cyanocinnamonitrile | 2-(phenylmethylidene)propanedinitrile | 2-(phenylmethylene)Propanedinitrile | TL 237 | B0947 | beta,beta-Styrenedicarbonitrile | 2-Phenyl-1,1-dicyanoethylene | Malonodinitrile, benzylidene | alpha-Cyanocinnamonitrile | Benzyl

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488182403

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182403

Sorrisi canonici

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

IUPAC Name

2-benzylidenepropanedinitrile

InChIKey

WAVNYPVYNSIHNC-UHFFFAOYSA-N

INCHI

1S/C10H6N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-6H

Isomeri SMILES

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

WGK Germania

3

RTECS

OO3500000

Peso molecolare

154.17

Beilstein

9895

Reaxy-Rn

1907519

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907519&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 85 °C
• Peso molecolare: 154.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.053 Da
• Monoisotopic Mass: 154.053 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 247.000
• 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