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Name |
4-Trifluoromethylbenzylsulfonyl chloride |
EINECS | N/A |
CAS No. | 127162-96-3 | Density | 1.506 g/cm3 |
PSA | 42.52000 | LogP | 3.85480 |
Solubility | N/A | Melting Point |
173 °C |
Formula | C8H6ClF3O2S | Boiling Point | 283.2 °C at 760 mmHg |
Molecular Weight | 258.649 | Flash Point | 125.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(3-Trifluoromethylphenyl)methanesulfonylchloride;3-Trifluoromethylbenzylsulfonyl chloride; |
Article Data | 4 |
The 4-Trifluoromethylbenzylsulfonyl chloride, with the CAS registry number 127162-96-3, is also known as Benzenemethanesulfonyl chloride, 3-(trifluoromethyl)-. This chemical's molecular formula is C8H6ClF3O2S and molecular weight is 258.64525. Its IUPAC name is called [3-(trifluoromethyl)phenyl]methanesulfonyl chloride.
Physical properties of 4-Trifluoromethylbenzylsulfonyl chloride: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 54.11; (5)ACD/BCF (pH 7.4): 54.11; (6)ACD/KOC (pH 5.5): 605.74; (7)ACD/KOC (pH 7.4): 605.74; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 50.02 cm3; (12)Molar Volume: 171.6 cm3; (13)Surface Tension: 36.8 dyne/cm; (14)Density: 1.506 g/cm3; (15)Flash Point: 125.1 °C; (16)Enthalpy of Vaporization: 50.11 kJ/mol; (17)Boiling Point: 283.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00549 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)Cl
(2)InChI: InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
(3)InChIKey: WIGCBGFBBRJTLS-UHFFFAOYSA-N