Butyl Methanesulfonate - ≥98% , CAS No.1912-32-9

CAS: 1912-32-9 Cat. No.: B405445 Peso molecular: 152.21 Número EC: 217-620-4

GRADE & PURITY ≥98%

Synonyms

AKOS006230495 | FT-0633907 | Q27253752 | EN300-206212 | B6230 | BRN 1753437 | Butyl mesylate | EINECS 217-620-4 | n-Butyl methanesulphonate | BUTANE, METHYLSULFONYLOXY- | NSC36060 | NSC-36060 | n-butyl methanesulphonate, AldrichCPR | SCHEMBL372403 | BAA91

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006230495 | FT-0633907 | Q27253752 | EN300-206212 | B6230 | BRN 1753437 | Butyl mesylate | EINECS 217-620-4 | n-Butyl methanesulphonate | BUTANE, METHYLSULFONYLOXY- | NSC36060 | NSC-36060 | n-butyl methanesulphonate, AldrichCPR | SCHEMBL372403 | BAA91

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182191
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182191
• Sonrisas canónicas: CCCCOS(=O)(=O)C
• IUPAC Name: butyl methanesulfonate
• InChIKey: LFLBHTZRLVHUQC-UHFFFAOYSA-N
• INCHI: 1S/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
• Isómeros SMILES: CCCCOS(=O)(=O)C
• RTECS: PB1425000
• Peso molecular: 152.21
• Reaxy-Rn: 1753437
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753437&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acid esters
• Alternative Parents: Sulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H).
• 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

• Índice de refracción: 1.43
• Punto de inflamación (°C): 102 °C
• Punto de ebullición (°C): 77 °C/2 mmHg
• Peso molecular: 152.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 152.051 Da
• Monoisotopic Mass: 152.051 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 142.000
• 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