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CAS No.: | 287172-61-6 |
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Name: | 5-BROMO-2,4-DIFLUOROBENZENESULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C6H2BrClF2O2S |
Molecular Weight: | 291.5 |
Synonyms: | 5-Bromo-2,4-difluorobenzenesulfonylchloride; |
Density: | 1.934 g/cm3 |
Melting Point: | 34-36 °C |
Boiling Point: | 297.121 °C at 760 mmHg |
Flash Point: | 133.494 °C |
Hazard Symbols: | C |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 42.52000 |
LogP: | 3.73560 |
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The Benzenesulfonylchloride, 5-bromo-2,4-difluoro-, with the CAS registry number 287172-61-6, is also known as 5-Bromo-2,4-difluorobenzenesulphonyl chloride. It belongs to the product category of Benzenesulfonyl chloride. This chemical's molecular formula is C6H2BrClF2O2S and formula weight is 291.5. What's more, its IUPAC name is 5-bromo-2,4-difluorobenzenesulfonyl chloride.
Physical properties of Benzenesulfonylchloride, 5-bromo-2,4-difluoro- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/BCF (pH 5.5): 142.74; (5)ACD/KOC (pH 5.5): 1212.91; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 42.52 Å2; (10)Index of Refraction: 1.554; (11)Molar Refractivity: 48.34 cm3; (12)Molar Volume: 150.6 cm3; (13)Surface Tension: 43.9 dyne/cm; (14)Density: 1.934 g/cm3; (15)Flash Point: 133.5 °C; (16)Enthalpy of Vaporization: 51.55 kJ/mol; (17)Boiling Point: 297.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00243 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=CC(=C1F)Br)S(=O)(=O)Cl)F
(2)InChI: InChI=1S/C6H2BrClF2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H
(3)InChIKey: GSNAPAYUOACKRN-UHFFFAOYSA-N