Isocianato de hexilo - ≥98%(GC) , CAS No.2525-62-4

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

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 219-763-8 | Éster hexílico do ácido isociânico | AKOS009158659 | J-800358 | Isocianato de hexilo, 97% | 1-Propanamínio, 2-hidroxi-N,N-dimetil-N-(1-metiletil)-3-(1-naftaleniloxi)- | Hexilisocianato | Hexano, 1-isocianato- | I0492 | 1-Isocianato-hexa

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Specifications

Sinónimos

EINECS 219-763-8 | Éster hexílico do ácido isociânico | AKOS009158659 | J-800358 | Isocianato de hexilo, 97% | 1-Propanamínio, 2-hidroxi-N,N-dimetil-N-(1-metiletil)-3-(1-naftaleniloxi)- | Hexilisocianato | Hexano, 1-isocianato- | I0492 | 1-Isocianato-hexa

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504754976

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CCCCCCN=C=O

WGK Alemanha

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
    • 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 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
• 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: 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

Propriedades químicas e físicas

• Sensibilidade: Air and moisture sensitive,heat sensitive
• Índice de refração: 1.4190 to 1.4210
• Ponto de inflamação (°F): 138.2 °F
• Ponto de inflamação (°C): 60°C
• Ponto de ebulição (°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

Perguntas frequentes

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.