1-Chlorobutane - Ultra dry, ≥99.5%, Water≤20 ppm, used for 1-Chlorobutane can be used to synthesize 1-butyl-3-methylimidazolium hydrogensulfonate ([BMIM][HSO4]). various applications , CAS No.109-69-3

CAS: 109-69-3 Cat. No.: C1521108 Fórmula: C₄H₉Cl Peso molecular: 92.57 Beilstein Registry Number: 1730909 Número CE: 203-696-6

GRADE & PURITY Ultra dry, ≥99.5%, Water≤20 ppm

Synonyms

Butyl Chloride

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Butyl Chloride

Especificações e pureza

Ultra dry, ≥99.5%, Water≤20 ppm

Aplicação

1-Chlorobutane can be used to synthesize 1-butyl-3-methylimidazolium hydrogensulfonate ([BMIM][HSO4]).

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Ultra dry

Pureza

≥99.5%

Nomes e identificadores

Sorrisos canónicos

CCCCCl

IUPAC Name

1-chlorobutane

InChIKey

VFWCMGCRMGJXDK-UHFFFAOYSA-N

INCHI

1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

SMILES isoméricas

CCCCCl

WGK Alemanha

2

RTECS

EJ6300000

Número UN

1127

Grupo de embalagem

II

Peso molecular

92.57

Beilstein

1730909

Reaxy-Rn

1730909

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730909&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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: Not soluble in water, but miscible with most organic solvents such as ethanol and ether.
• Índice de refração: 1.40233
• Ponto de inflamação (°C): -12 °C~-13 °C
• Ponto de ebulição (°C): 78.5°C
• Ponto de fusão (°C): -123.1°C
• Peso molecular: 92.570 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 92.0393 Da
• Monoisotopic Mass: 92.0393 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