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CAS No.: | 351003-43-5 |
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Name: | 3,4,5-Trifluorobenzenesulfonyl chloride |
Molecular Structure: | |
Formula: | C6H2ClF3O2S |
Molecular Weight: | 230.595 |
Synonyms: | 3,4,5-Trifluorobenzenesulfonylchloride; |
EINECS: | -0 |
Density: | 1.867 g/cm3 |
Melting Point: | 76-77 °C |
Boiling Point: | 246.1 °C at 760 mmHg |
Flash Point: | 102.7 °C |
Hazard Symbols: | C,Xi |
Risk Codes: | 10-34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 2924 |
PSA: | 42.52000 |
LogP: | 3.11220 |
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The CAS registry number of 3,4,5-Trifluorobenzenesulfonyl chloride is 351003-43-5. It belongs to the product categories of Aromatic Halides (substituted); Organic Building Blocks; Sulfur Compounds. This chemical is also named as 3,4,5-Trifluorobenzene-1-sulfonyl chloride. In addition, its molecular formula is C6H2ClF3O2S and molecular weight is 230.59. Its systematic name and IUPAC name are the same which is called 3,4,5-trifluorobenzenesulfonyl chloride.
Physical properties about 3,4,5-Trifluorobenzenesulfonyl chloride are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.19; (6)ACD/BCF (pH 7.4): 112.19; (7)ACD/KOC (pH 5.5): 1020.87; (8)ACD/KOC (pH 7.4): 1020.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.499; (13)Molar Refractivity: 40.73 cm3; (14)Molar Volume: 138.7 cm3; (15)Surface Tension: 37.9 dyne/cm; (16)Density: 1.662 g/cm3; (17)Flash Point: 102.7 °C; (18)Enthalpy of Vaporization: 46.37 kJ/mol; (19)Boiling Point: 246.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0433 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. It is flammable. It may cause inflammation to the skin or other mucous membranes. 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. What's more, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1F)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H2ClF3O2S/c7-13(11,12)3-1-4(8)6(10)5(9)2-3/h1-2H
(3)InChIKey: HSEHKULCGSMHAE-UHFFFAOYAX