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