Cyclohexanemethyl isocyanate - ≥98% , CAS No.51163-24-7

CAS: 51163-24-7 Cat. No.: C352465 Fórmula: C₆H₁₁CH₂NCO Peso molecular: 139.19 Número CE: 625-973-4

GRAU & PUREZA ≥98%

Synonyms

cyclohexylmethylisocyanate|Cyclohexanemethyl isocyanate 97|Isocyanatomethylcyclohexane|isocyanatomethyl-cyclohexane|(isocyanatomethyl)cyclohexane|cyclohexylmethyl isocyanate|Cyclohexane, (isocyanatomethyl)-|Cyclohexanemethyl isocyanate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

cyclohexylmethylisocyanate | Cyclohexanemethyl isocyanate 97 | Isocyanatomethylcyclohexane | isocyanatomethyl-cyclohexane | (isocyanatomethyl)cyclohexane | cyclohexylmethyl isocyanate | Cyclohexane, (isocyanatomethyl)- | Cyclohexanemethyl isocyanate

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

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

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504762555

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762555

Sorrisos canónicos

C1CCC(CC1)CN=C=O

IUPAC Name

isocyanatomethylcyclohexane

InChIKey

DUDXQIXWPJMPRQ-UHFFFAOYSA-N

INCHI

1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2

SMILES isoméricas

C1CCC(CC1)CN=C=O

WGK Alemanha

3

Peso molecular

139.19

Reaxy-Rn

774566

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774566&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
• 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

• Sensibilidade: Moisture sensitive
• Índice de refração: n20/D 1.4610
• Ponto de inflamação (°F): 168.8 °F
• Ponto de inflamação (°C): 76 °C
• Ponto de ebulição (°C): 193-194 °C
• Peso molecular: 139.190 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.1 Da
• Monoisotopic Mass: 139.1 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 51163-24-7, the molecular formula is C6H11CH2NCO, and the molecular weight is 139.19 g/mol. InChIKey DUDXQIXWPJMPRQ-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.