5-Chloromethyl-2-oxazolidinone - ≥98%(GC) , CAS No.22625-57-6

CAS: 22625-57-6 Cat. No.: C134365 Molecular Weight: 135.55 Beilstein Registry Number: 27(1)260 EC Number: 245-137-9

GRADE & PURITY ≥98%(GC)

Synonyms

5-(Chloromethyl)-2-oxazolidinone | AS-40129 | EINECS 245-137-9 | C4H6ClNO2 | Butylmethylimidazolium chloride | DTXSID201302718 | 5-Chloromethyl-2-oxazolidinone, 97% | InChI=1/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7) | MFCD00005269 | SY113103 | 5-Chl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

5-(Chloromethyl)-2-oxazolidinone | AS-40129 | EINECS 245-137-9 | C4H6ClNO2 | Butylmethylimidazolium chloride | DTXSID201302718 | 5-Chloromethyl-2-oxazolidinone, 97% | InChI=1/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H, 1-2H2, (H, 6, 7) | MFCD00005269 | SY113103 | 5-Chl

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504756047
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756047
• Canonical Smiles: C1C(OC(=O)N1)CCl
• IUPAC Name: 5-(chloromethyl)-1,3-oxazolidin-2-one
• InChIKey: FNOZCEQRXKPZEZ-UHFFFAOYSA-N
• INCHI: 1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)
• Isomeric SMILES: C1C(OC(=O)N1)CCl
• WGK Germany: 3
• Molecular Weight: 135.55
• Beilstein: 27(1)260
• Reaxy-Rn: 111132
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111132&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Oxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Oxazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolidinones
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazolidinone - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group.
• 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

• Melt Point(°C): 105 °C
• Molecular Weight: 135.550 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.009 Da
• Monoisotopic Mass: 135.009 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1