Hexyl Isocyanate - ≥98%(GC) , CAS No.2525-62-4

CAS: 2525-62-4 Cat. No.: H157416 Fórmula: C₇H₁₃NO Peso molecular: 127.19 Número EC: 219-763-8

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 219-763-8 | Isocyanic Acid Hexyl Ester | AKOS009158659 | J-800358 | Hexyl isocyanate, 97% | 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-(1-naphthalenyloxy)- | Hexylisocyanate | Hexane, 1-isocyanato- | I0492 | 1-Isocyanatohexane # |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EINECS 219-763-8 | Isocyanic Acid Hexyl Ester | AKOS009158659 | J-800358 | Hexyl isocyanate, 97% | 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-(1-naphthalenyloxy)- | Hexylisocyanate | Hexane, 1-isocyanato- | I0492 | 1-Isocyanatohexane # |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504754976

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754976

Sonrisas canónicas

CCCCCCN=C=O

IUPAC Name

1-isocyanatohexane

InChIKey

ANJPRQPHZGHVQB-UHFFFAOYSA-N

INCHI

1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

Isómeros SMILES

CCCCCCN=C=O

WGK Alemania

3

Peso molecular

127.19

Reaxy-Rn

1751836

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751836&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: 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: isocyanates

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 and moisture sensitive,heat sensitive
• Índice de refracción: 1.4190 to 1.4210
• Punto de inflamación (°F): 138.2 °F
• Punto de inflamación (°C): 60°C
• Punto de ebullición (°C): 164°C
• Peso molecular: 127.180 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.100
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 2525-62-4, the molecular formula is C7H13NO, and the molecular weight is 127.19 g/mol. InChIKey ANJPRQPHZGHVQB-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.