Allyl cyanide - ≥97% , CAS No.109-75-1

CAS: 109-75-1 Cat. No.: A124212 Fórmula: C₄H₅N Peso molecular: 67.09 Beilstein Registry Number: 605352 Número CE: 203-701-1

GRADE & PURITY ≥97%

Synonyms

beta-Butenonitrile | Allyl cyanide, 98% | CH2=CHCH2CN | 3-Cyanopropene | Allylkyanid | STL301993 | A0227 | J-002325 | AI3-18438 | EINECS 203-701-1 | H10716 | WLN: NC2U1 | .beta.-Butenonitrile | FT-0615266 | 2-Butenol-1 | 3-Butenenitrile, 9CI | 3-Cyano-1-p

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

Visão geral

Application

Allyl cyanide is used as an anti-microbial. It is also used as pharmaceutical intermediates.Allyl cyanide is a substance whose toxicity originates through cyanide liberation. Allyl cyanide is also a degradation product of allyl isothiocyanate, a natural compound found in plants that have been shown to exhibit strong antimicrobial activity.

Specifications

Sinónimos

beta-Butenonitrile | Allyl cyanide, 98% | CH2=CHCH2CN | 3-Cyanopropene | Allylkyanid | STL301993 | A0227 | J-002325 | AI3-18438 | EINECS 203-701-1 | H10716 | WLN: NC2U1 | .beta.-Butenonitrile | FT-0615266 | 2-Butenol-1 | 3-Butenenitrile, 9CI | 3-Cyano-1-p

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged,Desiccated

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508814642

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814642

Sorrisos canónicos

C=CCC#N

IUPAC Name

but-3-enenitrile

InChIKey

SJNALLRHIVGIBI-UHFFFAOYSA-N

INCHI

1S/C4H5N/c1-2-3-4-5/h2H,1,3H2

SMILES isoméricas

C=CCC#N

WGK Alemanha

3

RTECS

EM8050000

Número UN

1992

Grupo de embalagem

III

Peso molecular

67.09

Beilstein

605352

Reaxy-Rn

605352

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605352&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

Propriedades químicas e físicas

• Solubilidade: Not miscible in water;Soluble in ether, alcohol
• Sensibilidade: Hygroscopic;Air sensitive
• Índice de refração: 1.406
• Ponto de inflamação (°C): 24°C
• Ponto de ebulição (°C): 118°C
• Ponto de fusão (°C): -87℃
• Peso molecular: 67.090 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 67.0422 Da
• Monoisotopic Mass: 67.0422 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 65.000
• 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