Isocianuro de bencilo - ≥96%(GC) , CAS No.10340-91-7

CAS: 10340-91-7 Cat. No.: B153177 Peso molecular: 117.15 Beilstein Registry Number: 12(4)2219 Número EC: 233-738-9

GRADE & PURITY ≥96%(GC)

Synonyms

BenzylIsocyanide | benzylisonitrile | benzylisonit-rile | FT-0636686 | NS-01021 | Benzyl isocyanide | A934910 | DTXSID50145819 | B2185 | 1-(isocyanomethyl)benzene | EN300-257838 | (isocyanomethyl)benzene | A18033 | triphenyl(prop-2-enyl)phosphanium;bromid

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

BenzylIsocyanide | benzylisonitrile | benzylisonit-rile | FT-0636686 | NS-01021 | Benzyl isocyanide | A934910 | DTXSID50145819 | B2185 | 1-(isocyanomethyl)benzene | EN300-257838 | (isocyanomethyl)benzene | A18033 | triphenyl(prop-2-enyl)phosphanium;bromid

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504755614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755614
• Sonrisas canónicas: [C-]#[N+]CC1=CC=CC=C1
• IUPAC Name: isocyanomethylbenzene
• InChIKey: RIWNFZUWWRVGEU-UHFFFAOYSA-N
• INCHI: 1S/C8H7N/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2
• Isómeros SMILES: [C-]#[N+]CC1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 117.15
• Beilstein: 12(4)2219
• Reaxy-Rn: 2079483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079483&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic isocyanides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic isocyanide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Índice de refracción: 1.52
• Punto de inflamación (°F): 174.2 °F
• Punto de inflamación (°C): 79°C(lit.)
• Punto de ebullición (°C): 106°C/75mmHg(lit.)
• Peso molecular: 117.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 117.058 Da
• Monoisotopic Mass: 117.058 Da
• Topological Polar Surface Area: 4.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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