Amyl Nitrate - ≥98%(GC) , CAS No.1002-16-0

CAS: 1002-16-0 Cat. No.: A165297 Peso molecular: 133.15 Número EC: 213-684-2

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS009031516 | InChI=1/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H | Amyl nitrate | MFCD00059177 | UN 1112 | A0453 | Amyl nitrate [UN1112] [Flammable liquid] | Nitrate D'amyle | FT-0693041 | SCHEMBL44076 | Z77A64H8TF | BRN 1702825 | Pentyl nitrate | UNII-Z77A

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

AKOS009031516 | InChI=1/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2, 1H | Amyl nitrate | MFCD00059177 | UN 1112 | A0453 | Amyl nitrate [UN1112] [Flammable liquid] | Nitrate D'amyle | FT-0693041 | SCHEMBL44076 | Z77A64H8TF | BRN 1702825 | Pentyl nitrate | UNII-Z77A

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183468
• Sonrisas canónicas: CCCCCO[N+](=O)[O-]
• IUPAC Name: pentyl nitrate
• InChIKey: HSNWZBCBUUSSQD-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
• Isómeros SMILES: CCCCCO[N+](=O)[O-]
• RTECS: QV0600000
• Número ONU: 1112
• Grupo de embalaje: III
• Peso molecular: 133.15
• Reaxy-Rn: 1702825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organic oxoanionic compounds
      • Subclass Organic nitrates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organic oxoanionic compounds
• Subclass: Organic nitrates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl nitrates
• Alternative Parents: Organic nitro compounds Organic nitric acids and derivatives Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl group.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water
• Sensibilidad: light & air sensitive
• Índice de refracción: 1.41
• Punto de inflamación (°C): 52°C
• Punto de ebullición (°C): 157°C
• Peso molecular: 133.150 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 133.074 Da
• Monoisotopic Mass: 133.074 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 78.800
• 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