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| CAS No.: | 286932-78-3 |
|---|---|
| Name: | 4-CHLORO-2,5-DIFLUOROBENZENESULFONYL CHLORIDE |
| Molecular Structure: | |
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| Formula: | C6H2Cl2F2O2S |
| Molecular Weight: | 247.0467 |
| Synonyms: | 4-Chloro-2,5-difluorobenzenesulfonylchloride;4-Chloro-2,5-difluorobenzenesulphonyl chloride 97%; |
| Density: | 1.686 g/cm3 |
| Boiling Point: | 253.1 °C at 760 mmHg |
| Flash Point: | 106.9 °C |
| Hazard Symbols: | C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 42.52000 |
| LogP: | 3.62650 |
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Specification
The Benzenesulfonyl chloride, 4-chloro-2,5-difluoro-, with the CAS registry number 286932-78-3, has the systematic name of 4-chloro-2,5-difluorobenzenesulfonyl chloride. It belongs to the product category of Sulfonylhalide. And the molecular formula of the chemical is C6H2Cl2F2O2S.
The characteristics of Benzenesulfonyl chloride, 4-chloro-2,5-difluoro- are as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.68; (6)ACD/BCF (pH 7.4): 80.68; (7)ACD/KOC (pH 5.5): 806.27; (8)ACD/KOC (pH 7.4): 806.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 45.45 cm3; (15)Molar Volume: 146.4 cm3; (16)Polarizability: 18.01×10-24cm3; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.686 g/cm3; (19)Flash Point: 106.9 °C; (20)Enthalpy of Vaporization: 47.07 kJ/mol; (21)Boiling Point: 253.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0296 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(c(F)cc1Cl)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H2Cl2F2O2S/c7-3-1-5(10)6(2-4(3)9)13(8,11)12/h1-2H
(3)InChIKey: RONRQDJNXCXAOU-UHFFFAOYAB