Chloromethylsulfonyl Chloride - ≥80% , CAS No.3518-65-8

CAS: 3518-65-8 Cat. No.: C399325 Molecular Weight: 148.99 EC Number: 222-526-1

GRADE & PURITY ≥80%

Synonyms

DTXSID30188668 | Chlormethansulfochlorid [Czech] | chloromethyl sulphonyl chloride | SCHEMBL124081 | Methanesulfonyl chloride, chloro- | Chloromesyl chloride | MFCD00014727 | 7WRW5VDZ79 | chloranylmethanesulfonyl chloride | chlormethylsulfonyl chloride |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DTXSID30188668 | Chlormethansulfochlorid [Czech] | chloromethyl sulphonyl chloride | SCHEMBL124081 | Methanesulfonyl chloride, chloro- | Chloromesyl chloride | MFCD00014727 | 7WRW5VDZ79 | chloranylmethanesulfonyl chloride | chlormethylsulfonyl chloride |

Specifications & Purity

≥80%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥80%

Names and Identifiers

• Canonical Smiles: C(S(=O)(=O)Cl)Cl
• IUPAC Name: chloromethanesulfonyl chloride
• InChIKey: KQDDQXNVESLJNO-UHFFFAOYSA-N
• INCHI: 1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2
• Isomeric SMILES: C(S(=O)(=O)Cl)Cl
• WGK Germany: 3
• RTECS: PB2800000
• UN Number: 3265
• Packing Group: II
• Molecular Weight: 148.99
• Reaxy-Rn: 1811761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Sulfonyl halides
• Subclass: Sulfonyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl chlorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to 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

Chemical and Physical Properties

• Solubility: It is soluble in dichloromethane, pyridine, and most organic solvents. It is insoluble in water.
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.4880 to 1.4940
• Flash Point(°C): 73 °C
• Boil Point(°C): 175°C
• Molecular Weight: 149.000 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.915 Da
• Monoisotopic Mass: 147.915 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 108.000
• 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

References

1. Jianlin Lv, Yajun Xu, Ya Liu, Kazuo Sakurai, Haiyang Yu, Zhaohui Tang.  (2024)  Co-delivery of Plinabulin and Tirapazamine boosts anti-tumor efficacy by simultaneously destroying tumor blood vessels and killing tumor cells.  BIOMATERIALS,      [PMID:38718615] [10.1016/j.biomaterials.2024.122586]