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5895-35-2

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Basic Information
CAS No.: 5895-35-2
Name: 3-hydroxy-4,4,4-trichlorobutyric beta-lactone
Article Data: 4
Molecular Structure:
Molecular Structure of 5895-35-2 (3-hydroxy-4,4,4-trichlorobutyric beta-lactone)
Formula: C4H3Cl3O2
Molecular Weight: 189.4244
Synonyms: 2-oxetanone, 4-(trichloromethyl)-;3-Hydroxy-4,4,4-trichlorobutyric b-lactone;4-(Trichloromethyl)oxetan-2-one;
Density: 1.731 g/cm3
Boiling Point: 228 °C at 760 mmHg
Flash Point: 104 °C
PSA: 26.30000
LogP: 1.67210
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    2-Oxetanone,4-(trichloromethyl)- cas 5895-35-2Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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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