-
Name
4-(DIFLUOROMETHYLSULFONYL)CHLOROBENZENE
- EINECS
- CAS No. 2488-53-1
- Article Data6
- CAS DataBase
- Density 1.467 g/cm3
- Solubility
- Melting Point
- Formula C7H5ClF2O2S
- Boiling Point 317.8 °C at 760 mmHg
- Molecular Weight 226.631
- Flash Point 146 °C
- Transport Information
- Appearance
- Safety 24/25
- Risk Codes 20/21/22
-
Molecular Structure
- Hazard Symbols
- Synonyms Sulfone,p-chlorophenyl difluoromethyl (7CI,8CI);1-Chloro-4-[(difluoromethyl)sulfonyl]benzene;4-(Difluoromethylsulfonyl)chlorobenzene;NSC 166341;p-Chlorophenyl difluoromethyl sulfone;
- PSA 42.52000
- LogP 3.41710
Benzene,1-chloro-4-[(difluoromethyl)sulfonyl]- Specification
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
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