Nitrito de isobutilo - ≥95%(GC) , CAS No.542-56-3

CAS: 542-56-3 Cat. No.: I157486 Fórmula: C₄H₉NO₂ Peso molecular: 103.12 Beilstein Registry Number: 1377 Número CE: 208-819-7

GRAU & PUREZA ≥95%(GC)

Synonyms

AKOS015915458 | CCRIS 1099 | CHEBI:46643 | Q1151479 | ?nitrito de isobutilo | nitrito de isobutilo | nitrito de isobutilo | nitrito de isobutilo [IARC] | nitrito de isobutilo [MART.] | NCGC00091558-02 | nitrito de isobutilo [MI] | UNII-GW9WAB6QOM | nitrit

Storage

Armazenar a 2-8°C,Protegido da luz,Carregado com árgon

Shipped In

Gelo húmido

Visão geral

Normalmente utilizado para estudar a imunotoxicidade induzida por inalantes.

Especificações

Sinónimos

AKOS015915458 | CCRIS 1099 | CHEBI:46643 | Q1151479 | ?nitrito de isobutilo | nitrito de isobutilo | nitrito de isobutilo | nitrito de isobutilo [IARC] | nitrito de isobutilo [MART.] | NCGC00091558-02 | nitrito de isobutilo [MI] | UNII-GW9WAB6QOM | nitrit

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Armazenar a 2-8°C,Protegido da luz,Carregado com árgon

Enviado em

Gelo húmido

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

488181234

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181234

Sorrisos canónicos

CC(C)CON=O

IUPAC Name

2-methylpropyl nitrite

InChIKey

APNSGVMLAYLYCT-UHFFFAOYSA-N

INCHI

1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3

SMILES isoméricas

CC(C)CON=O

WGK Alemanha

3

RTECS

RA0805000

Número UN

1992

Grupo de embalagem

I

Peso molecular

103.12

Beilstein

1377

Reaxy-Rn

1699518

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699518&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)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

Alvos associados (não humanos)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in water: Decomposes in contact with water,Practically insoluble; Miscible with Alcohol
• Sensibilidade: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Índice de refração: 1.37
• Ponto de inflamação (°F): -5.8 °F
• Ponto de inflamação (°C): -21 °C
• Ponto de ebulição (°C): 67 °C
• Peso molecular: 103.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 53.700
• 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

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

This product is supplied at ≥95% 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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 542-56-3, the molecular formula is C4H9NO2, and the molecular weight is 103.12 g/mol. InChIKey APNSGVMLAYLYCT-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.