2-Oxetanone,4-(trichloromethyl)- supplier

Name
3-hydroxy-4,4,4-trichlorobutyric beta-lactone
EINECS
CAS No. 5895-35-2
Article Data4
CAS DataBase
Density 1.731 g/cm³
Solubility
Melting Point
Formula C₄H₃Cl₃O₂
Boiling Point 228 °C at 760 mmHg
Molecular Weight 189.4244
Flash Point 104 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-oxetanone, 4-(trichloromethyl)-;3-Hydroxy-4,4,4-trichlorobutyric b-lactone;4-(Trichloromethyl)oxetan-2-one;
PSA 26.30000
LogP 1.67210

2-Oxetanone,4-(trichloromethyl)- Specification

The 2-Oxetanone,4-(trichloromethyl)-, with the CAS registry number 5895-35-2, has the systematic name and IUPAC name of 4-(trichloromethyl)oxetan-2-one. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of this chemical is C₄H₃Cl₃O₂.

The physical properties of 2-Oxetanone,4-(trichloromethyl)- are as following: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 34.41 cm³; (9)Molar Volume: 109.3 cm³; (10)Polarizability: 13.64×10^-24cm³; (11)Surface Tension: 54.3 dyne/cm; (12)Density: 1.731 g/cm³; (13)Flash Point: 104 °C; (14)Enthalpy of Vaporization: 46.46 kJ/mol; (15)Boiling Point: 228 °C at 760 mmHg; (16)Vapour Pressure: 0.075 mmHg at 25°C.

Uses of 2-Oxetanone,4-(trichloromethyl)-: It can react with benzenethiol to produce 4,4,4-Trichlor-3-hydroxy-thiobuttersaeure-S-phenylester. This reaction will need reagent HCl.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C1OC(=O)C1
(2)InChI: InChI=1/C4H3Cl3O2/c5-4(6,7)2-1-3(8)9-2/h2H,1H2
(3)InChIKey: CPNBMBBRKINRNE-UHFFFAOYAA

Product Name

3-hydroxy-4,4,4-trichlorobutyric beta-lactone

2-Oxetanone,4-(trichloromethyl)- Specification

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