Butyl Nitrite - ≥90%(GC) , CAS No.544-16-1

CAS: 544-16-1 Cat. No.: B134686 Peso molecular: 103.12 Beilstein Registry Number: 1369 Número EC: 208-862-1

GRADE & PURITY ≥90%(GC)

Synonyms

InChI=1/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3 | NCI-C56553 | LS-13006 | Butyl nitrite | NBN | Tox21_202927 | N0376 | BP-20316 | Butyl nitrite(Technical) | CCRIS 838 | NSC 8426 | AMY4016 | CHEBI:173360 | DTXCID7029378 | SCHEMBL166345 | 44P8QG0F3T | AKOS0159953

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Descripción general

The photodissociation dynamics of butyl nitrite was studied using time-resolved Fourier transform infrared (TR-FTIR) emission spectroscopy. The effects of butyl nitrite on methyl cobalamin and 5-methyl tetrahydrofolate were studied.

Specifications

Sinónimos

InChI=1/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2, 1H3 | NCI-C56553 | LS-13006 | Butyl nitrite | NBN | Tox21_202927 | N0376 | BP-20316 | Butyl nitrite(Technical) | CCRIS 838 | NSC 8426 | AMY4016 | CHEBI:173360 | DTXCID7029378 | SCHEMBL166345 | 44P8QG0F3T | AKOS0159953

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 504752046
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752046
• Sonrisas canónicas: CCCCON=O
• IUPAC Name: butyl nitrite
• InChIKey: JQJPBYFTQAANLE-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
• Isómeros SMILES: CCCCON=O
• WGK Alemania: 1
• RTECS: RA0780000
• Número ONU: 2351
• Grupo de embalaje: I
• Peso molecular: 103.12
• Beilstein: 1369
• Reaxy-Rn: 1701036
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701036&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: 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: Slightly soluble in water
• Sensibilidad: light sensitive；heat sensitive；air sensitive
• Índice de refracción: 1.376
• Punto de inflamación (°C): -13 °C
• Punto de ebullición (°C): 78 °C
• Peso molecular: 103.120 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• 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: 47.000
• 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