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

CAS: 22625-57-6 Cat. No.: C134365 Peso molecular: 135.55 Beilstein Registry Number: 27(1)260 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504756047
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756047
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1C(OC(=O)N1)CCl
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Azolidines
      • Subclass Oxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 105 °C
• Peso molecular: 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