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CAS No.: | 152457-95-9 |
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Name: | 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZENESULPHONYL CHLORIDE |
Molecular Structure: | |
Formula: | C10H7ClF6O4S |
Molecular Weight: | 372.67 |
Synonyms: | 2,5-Bis(2,2,2-trifluoroethoxy)benzenesulfonylchloride;[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]chlorosulfone; |
EINECS: | 216-199-4 |
Density: | 1.553 g/cm3 |
Melting Point: | 48-52 °C |
Boiling Point: | 352.5 °C at 760 mmHg |
Flash Point: | 167 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 60.98000 |
LogP: | 4.57710 |
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The Benzenesulfonylchloride, 2,5-bis(2,2,2-trifluoroethoxy)-, with the CAS registry number 152457-95-9, is also known as [2,5-Bis(2,2,2-trifluoroethoxy)phenyl]chlorosulfone. It belongs to the product category of Benzenesulfonyl chloride. This chemical's molecular formula is C10H7ClF6O4S and molecular weight is 372.67. What's more, its systematic name is 2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.
Physical properties of Benzenesulfonylchloride, 2,5-bis(2,2,2-trifluoroethoxy)- are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 975; (6)ACD/BCF (pH 7.4): 975; (7)ACD/KOC (pH 5.5): 4798.76; (8)ACD/KOC (pH 7.4): 4798.76; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 63.12 cm3; (15)Molar Volume: 239.8 cm3; (16)Polarizability: 25.02×10-24cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 1.553 g/cm3; (19)Flash Point: 167 °C; (20)Enthalpy of Vaporization: 57.37 kJ/mol; (21)Boiling Point: 352.5 °C at 760 mmHg; (22)Vapour Pressure: 7.78E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)S(Cl)(=O)=O
(2)InChI: InChI=1S/C10H7ClF6O4S/c11-22(18,19)8-3-6(20-4-9(12,13)14)1-2-7(8)21-5-10(15,16)17/h1-3H,4-5H2
(3)InChIKey: UCHAULDYIPVTOP-UHFFFAOYSA-N