Propyl Methanesulfonate - ≥98%(GC) , CAS No.1912-31-8

CAS: 1912-31-8 Cat. No.: P160510 Peso molecular: 138.18 Beilstein Registry Number: 4(4)13 Número EC: 217-619-9 PubChem CID: 74705

GRADE & PURITY ≥98%(GC)

Synonyms

AMY3885 | AS-61790 | UNII-9M6NKT0B5H | 1,1-Bis(4-Chlorophenyl)-1,2,2,2-Tetrachloroethane | STL556241 | BAA91231 | DKORSYDQYFVQNS-UHFFFAOYSA- | n-Propyl methanesulfonate | 10,11-Dihydro-5H-dibenz[b,f]azepine-5-carboxamide | EINECS 217-619-9 | Methanesulfon

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AMY3885 | AS-61790 | UNII-9M6NKT0B5H | 1, 1-Bis(4-Chlorophenyl)-1, 2, 2, 2-Tetrachloroethane | STL556241 | BAA91231 | DKORSYDQYFVQNS-UHFFFAOYSA- | n-Propyl methanesulfonate | 10, 11-Dihydro-5H-dibenz[b, f]azepine-5-carboxamide | EINECS 217-619-9 | Methanesulfon

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184969
• Sonrisas canónicas: CCCOS(=O)(=O)C
• IUPAC Name: propyl methanesulfonate
• InChIKey: DKORSYDQYFVQNS-UHFFFAOYSA-N
• INCHI: 1S/C4H10O3S/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
• Isómeros SMILES: CCCOS(=O)(=O)C
• RTECS: PB2680000
• PubChem CID: 74705
• Peso molecular: 138.18
• Beilstein: 4(4)13
• Reaxy-Rn: 1750181

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: 1.4200 to 1.4250
• Punto de ebullición (°C): 110°C/20mmHg
• Peso molecular: 138.190 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 138.035 Da
• Monoisotopic Mass: 138.035 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 130.000
• 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