Isobutyl Nitrite - ≥95%(GC) , CAS No.542-56-3

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

GRADE & PURITY ≥95%(GC)

Synonyms

AKOS015915458 | CCRIS 1099 | CHEBI:46643 | Q1151479 | ?Isobutylnitrite | ISOBUTYL NITRITE | iso-butyl nitrite | ISOBUTYL NITRITE [IARC] | ISOBUTYL NITRITE [MART.] | NCGC00091558-02 | ISOBUTYL NITRITE [MI] | UNII-GW9WAB6QOM | isobutyl nitrite ( | EN300-120

Storage

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

Shipped In

Wet ice,FedEx DG Service

Descripción general

Usually used to study inhalant-induced immunotoxicity.

Specifications

Sinónimos

AKOS015915458 | CCRIS 1099 | CHEBI:46643 | Q1151479 | ?Isobutylnitrite | ISOBUTYL NITRITE | iso-butyl nitrite | ISOBUTYL NITRITE [IARC] | ISOBUTYL NITRITE [MART.] | NCGC00091558-02 | ISOBUTYL NITRITE [MI] | UNII-GW9WAB6QOM | isobutyl nitrite ( | EN300-120

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488181234
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181234
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(C)CON=O
• WGK Alemania: 3
• RTECS: RA0805000
• Número ONU: 1992
• Grupo de embalaje: 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
    • Clase Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (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

Objetivos asociados (no 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 acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Decomposes in contact with water,Practically insoluble; Miscible with Alcohol
• Sensibilidad: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.37
• Punto de inflamación (°F): -5.8 °F
• Punto de inflamación (°C): -21 °C
• Punto de ebullición (°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

Referencias

1. Weilong Kong, Heng Zhang, Yuxin Zhou, Yejuan Xue, Longjin Jiang, Hongfa Xiang, Zhimei Huang.  (2025)  Ultralow-Temperature Carboxylate Electrolyte for High-Voltage Lithium Metal Batteries.  ACS Applied Materials & Interfaces,      [PMID:40569203] [10.1021/acsami.5c08517]