3-Chlorooxetane - ≥97% , CAS No.4741-80-4

CAS: 4741-80-4 Cat. No.: C176555 Formule: C₃H₅ClO Poids moléculaire: 92.52

GRADE & PURITY ≥97%

Synonyms

monochlorooxetane | CS1986 | MFCD18909294 | AMY34839 | FT-0712636 | DTXSID50598801 | 3-Chlorooxetane | PS-15376 | SY059296 | AKOS015907586 | PB33445

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

monochlorooxetane | CS1986 | MFCD18909294 | AMY34839 | FT-0712636 | DTXSID50598801 | 3-Chlorooxetane | PS-15376 | SY059296 | AKOS015907586 | PB33445

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1C(CO1)Cl
• IUPAC Name: 3-chlorooxetane
• InChIKey: JHXMBKTYQFGDQM-UHFFFAOYSA-N
• INCHI: 1S/C3H5ClO/c4-3-1-5-2-3/h3H,1-2H2
• Isomères SMILES: C1C(CO1)Cl
• Poids moléculaire: 92.52
• Reaxy-Rn: 102463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 92.520 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 92.0029 Da
• Monoisotopic Mass: 92.0029 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 33.900
• 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