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

CAS: 51163-24-7 Cat. No.: C352465 Formule: C₆H₁₁CH₂NCO Poids moléculaire: 139.19 Numéro CE: 625-973-4

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504762555

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1CCC(CC1)CN=C=O

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: n20/D 1.4610
• Point d'éclair (°F): 168.8 °F
• Point d'éclair (°C): 76 °C
• Point d'ébullition (°C): 193-194 °C
• Poids moléculaire: 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

Foire aux questions

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.