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

CAS: 1002-16-0 Cat. No.: A165297 Formule: C₅H₁₁NO₃ Poids moléculaire: 133.15 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488183468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183468
• Sourires canoniques: 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
• Isomères SMILES: CCCCCO[N+](=O)[O-]
• RTECS: QV0600000
• Numéro ONU: 1112
• Groupe d'emballage: III
• Poids moléculaire: 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
    • Classe Organic oxoanionic compounds
      • Subclass Organic nitrates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Sensibilité: light & air sensitive
• Indice de réfraction: 1.41
• Point d'éclair (°C): 52°C
• Point d'ébullition (°C): 157°C
• Poids moléculaire: 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

Foire aux questions

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 room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 1002-16-0, the molecular formula is C5H11NO3, and the molecular weight is 133.15 g/mol. InChIKey HSNWZBCBUUSSQD-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.