Isopentyl nitrite - ≥95%, contains 0.2% sodium carbonate as stabilizer , CAS No.110-46-3

CAS: 110-46-3 Cat. No.: I106092 Fórmula: C₅H₁₁NO₂ Peso molecular: 117.15 Beilstein Registry Number: 969510 Número CE: 203-770-8

GRADE & PURITY ≥95%, contains 0.2% sodium carbonate as stabilizer

Synonyms

NCGC00258536-01 | CCRIS 1098 | CHEBI:2691 | MFCD00002057 | 3-methyl-1-nitrosooxybutane | 3-methyl-1-nitrosooxy-butane | AMYL NITRITE [JAN] | I0089 | NCGC00091066-01 | SCHEMBL23785 | Isopentyl alcohol, nitrite | Tox21_111074 | 5N0U5TUC9Z | Amylnitrit | DTX

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

Visão geral

Isopentyl nitrite has been used:

· as a radical initiator to functionalize multi-walled carbon nanotubes.

· as a reagent in the preparation of 4-carboxy-phenyl diazonium salt tetrafluoroborate.

· in synthesis of peroxynitrite (ONOO-).

Specifications

Sinónimos

NCGC00258536-01 | CCRIS 1098 | CHEBI:2691 | MFCD00002057 | 3-methyl-1-nitrosooxybutane | 3-methyl-1-nitrosooxy-butane | AMYL NITRITE [JAN] | I0089 | NCGC00091066-01 | SCHEMBL23785 | Isopentyl alcohol, nitrite | Tox21_111074 | 5N0U5TUC9Z | Amylnitrit | DTX

Especificações e pureza

≥95%, contains 0.2% sodium carbonate as stabilizer

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504751558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751558
• Sorrisos canónicos: CC(C)CCON=O
• IUPAC Name: 3-methylbutyl nitrite
• InChIKey: OWFXIOWLTKNBAP-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
• SMILES isoméricas: CC(C)CCON=O
• WGK Alemanha: 3
• RTECS: NT0187500
• Número UN: 1993
• Grupo de embalagem: I
• Peso molecular: 117.15
• Beilstein: 969510
• Reaxy-Rn: 969510
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969510&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic nitroso compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic O-nitroso compounds
• Alternative Parents: Alkyl nitrites Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic o-nitroso compound - Alkyl nitrite - Organic nitrite - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organic o-nitroso compounds. These are organic compounds containing a n-nitroso group -ON=O.
• External Descriptors: nitrite esters

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

Alvos associados (humanos)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Miscible with methanol, chloroform and ether. Slightly miscible with water.
• Sensibilidade: air & light & heat & Moisture sensitive
• Índice de refração: 1.3871
• Ponto de inflamação (°F): 50 °F
• Ponto de inflamação (°C): 10℃
• Ponto de ebulição (°C): 99°C
• Peso molecular: 117.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.400
• 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