Morpholine-4-sulfonyl chloride - ≥97% , CAS No.1828-66-6

CAS: 1828-66-6 Cat. No.: M182267 Molecular Weight: 185.6 EC Number: 803-308-0

GRADE & PURITY ≥97%

Synonyms

SY031464 | DTXSID30510162 | morpholinosulfonyl chloride | morpholine-N-sulfonyl chloride | BBL029926 | morpholin-4-sulfonyl chloride | morpholine-4-sulfonylchloride | EN300-27281 | 4-Morpholinesulfonyl chloride, AldrichCPR | BB 0220682 | AKOS000263670 | B

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SY031464 | DTXSID30510162 | morpholinosulfonyl chloride | morpholine-N-sulfonyl chloride | BBL029926 | morpholin-4-sulfonyl chloride | morpholine-4-sulfonylchloride | EN300-27281 | 4-Morpholinesulfonyl chloride, AldrichCPR | BB 0220682 | AKOS000263670 | B

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COCCN1S(=O)(=O)Cl
• IUPAC Name: morpholine-4-sulfonyl chloride
• InChIKey: KXIBCCFSAMRWIC-UHFFFAOYSA-N
• INCHI: 1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
• Isomeric SMILES: C1COCCN1S(=O)(=O)Cl
• Molecular Weight: 185.6
• Reaxy-Rn: 127217
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127217&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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

• Molecular Weight: 185.630 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 184.991 Da
• Monoisotopic Mass: 184.991 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 191.000
• 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. Yanju Lu, Fengqi Chen, Yuxiang Chen, Jing Wang, Shenlin Huang.  (2024)  Synthesis and antitumor activity of new series of isopimaric heterocyclic sulfonamides derivatives.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.120300]