(S)-(-)-4-Methyl-4-(trichloromethyl)-2-oxetanone

Base Information

• Chemical Name: (S)-(-)-4-Methyl-4-(trichloromethyl)-2-oxetanone
• CAS No.: 93206-60-1
• Molecular Formula: C5H5 Cl3 O2
• Molecular Weight: 203.452
• Hs Code.: 2932209090
• European Community (EC) Number: 621-827-9
• DSSTox Substance ID: DTXSID80460481
• Nikkaji Number: J1.381.125C
• Wikidata: Q82284535
• Mol file: 93206-60-1.mol

Synonyms:93206-60-1;(S)-(-)-4-Methyl-4-(trichloromethyl)-2-oxetanone;(4S)-4-Methyl-4-(trichloromethyl)oxetan-2-one;SCHEMBL8465275;DTXSID80460481;(S)-(-)-3-HYDROXY-3-METHYL-4,4,4-TRICHLOROBUTYRIC beta-LACTONE;AKOS015913428;(S)-4-methyl-4-(trichloromethyl)oxetan-2-one

Chemical Property of (S)-(-)-4-Methyl-4-(trichloromethyl)-2-oxetanone

Chemical Property:

• Vapor Pressure: 0.0808mmHg at 25°C
• Melting Point: 43-44 °C(lit.)
• Refractive Index: 1.522
• Boiling Point: 120 °C0.1 mm Hg(lit.)
• Flash Point: 97.3°C
• PSA: 26.30000
• Density: 1.591g/cm³
• LogP: 2.06220
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 201.935512
• Heavy Atom Count: 10
• Complexity: 174

Purity/Quality:

98% ^*data from raw suppliers

(S)-(-)-3-HYDROXY-3-METHYL-4,4,4-TRICHLOROBUTYRIC BETA-LACTONE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)O1)C(Cl)(Cl)Cl
• Isomeric SMILES: C[C@]1(CC(=O)O1)C(Cl)(Cl)Cl