1-Iodobutane - ≥98%(GC), stabilized with copper , CAS No.542-69-8

CAS: 542-69-8 Cat. No.: I108560 Fórmula: C₄H₉I Peso molecular: 184.02 Beilstein Registry Number: 1420755 Número CE: 208-824-4

GRADE & PURITY ≥98%(GC), stabilized with copper

Synonyms

NSC8420 | NSC-8420 | n-BuI | InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H | J-802249 | 1-Jodbutan [Czech] | SCHEMBL68454 | n-butyliodide | UNII-607A6CC46R | 4-iodobutane | N-BUTYL IODIDE [MI] | Q-200122 | F2190-0174 | N-BUTYL IODIDE | EN300-19286 | 1-Iodobutane | 1

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Visão geral

Thermal chemistry of 1-iodobutane has been investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy.
It was used in the synthesis of: S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol，5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol， N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide by reaction with 1-methylpyrrolidine in ethyl acetate.

Specifications

Sinónimos

NSC8420 | NSC-8420 | n-BuI | InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H | J-802249 | 1-Jodbutan [Czech] | SCHEMBL68454 | n-butyliodide | UNII-607A6CC46R | 4-iodobutane | N-BUTYL IODIDE [MI] | Q-200122 | F2190-0174 | N-BUTYL IODIDE | EN300-19286 | 1-Iodobutane | 1

Especificações e pureza

≥98%(GC), stabilized with copper

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged,Desiccated

Enviado em

FedEx DG Service

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504752036
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752036
• Sorrisos canónicos: CCCCI
• IUPAC Name: 1-iodobutane
• InChIKey: KMGBZBJJOKUPIA-UHFFFAOYSA-N
• INCHI: 1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
• SMILES isoméricas: CCCCI
• WGK Alemanha: 3
• RTECS: EK4400000
• Número UN: 1993
• Peso molecular: 184.02
• Beilstein: 1420755
• Reaxy-Rn: 1420755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1420755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organoiodides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoiodides
• Alternative Parents: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine atom.
• 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water,soluble in diethyl ether and alcohol
• Sensibilidade: Light and Air Sensitive
• Índice de refração: 1.4998
• Ponto de inflamação (°F): 91.4 °F
• Ponto de inflamação (°C): 33℃
• Ponto de ebulição (°C): 130.4°C
• Ponto de fusão (°C): -103°C
• Peso molecular: 184.020 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 183.975 Da
• Monoisotopic Mass: 183.975 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• 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

Referências

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