Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene,1-chloro-4-[(difluoromethyl)sulfonyl]- |
EINECS | N/A |
CAS No. | 2488-53-1 | Density | 1.467 g/cm3 |
PSA | 42.52000 | LogP | 3.41710 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5ClF2O2S | Boiling Point | 317.8 °C at 760 mmHg |
Molecular Weight | 226.631 | Flash Point | 146 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Sulfone,p-chlorophenyl difluoromethyl (7CI,8CI);1-Chloro-4-[(difluoromethyl)sulfonyl]benzene;4-(Difluoromethylsulfonyl)chlorobenzene;NSC 166341;p-Chlorophenyl difluoromethyl sulfone; |
Article Data | 6 |
The Benzene, 1-chloro-4-[(difluoromethyl)sulfonyl]-, with the CAS registry number 2488-53-1, is also known as 4-Chlorophenyl difluoromethyl sulfone. This chemical's molecular formula is C7H5ClF2O2S and molecular weight is 226.63. What's more, its IUPAC name is 1-Chloro-4-(difluoromethylsulfonyl)benzene. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. And you should avoid contacting with skin and eyes.
Physical properties about Benzene, 1-chloro-4-[(difluoromethyl)sulfonyl]- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.52 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 45.24 cm3; (9)Molar Volume: 154.4 cm3; (10)Polarizability: 17.93×10-24 cm3; (11)Surface Tension: 35.4 dyne/cm; (12)Density: 1.467 g/cm3; (13)Flash Point: 146 °C; (14)Enthalpy of Vaporization: 53.7 kJ/mol; (15)Boiling Point: 317.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000699 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(Cl)cc1)C(F)F
(2) InChI: InChI=1/C7H5ClF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H
(3) InChIKey: UWBPIDCZHSOMGG-UHFFFAOYAE