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2-Bromo-4,6-difluorobenzenesulfonyl chloride

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Name

2-Bromo-4,6-difluorobenzenesulfonyl chloride

EINECS N/A
CAS No. 351003-42-4 Density 1.934 g/cm3
PSA 42.52000 LogP 3.73560
Solubility N/A Melting Point 41-44 °C
Formula C6H2BrClF2O2S Boiling Point 296.074 °C at 760 mmHg
Molecular Weight 289.86 Flash Point 132.861 °C
Transport Information UN 3265 8/PG 2 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 351003-42-4 (2-BROMO-4,6-DIFLUOROBENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

2-Bromo-4,6-difluorobenzene-1-sulfonyl chloride;2-Bromo-4,6-difluorobenzenesulfonyl chloride;2-bromo-4,6-difluorobenzenesulfonylchloride;2-bromo-4,6-difluorobenzenesulphonyl chloride;

 

2-Bromo-4,6-difluorobenzenesulfonyl chloride Specification

The Benzenesulfonylchloride, 2-bromo-4, 6-difluoro-, with the CAS registry number of 351003-42-4, is also known as 2-Bromo-4, 6-difluorobenzenesulphonyl chloride. It belongs to the product categories of Aromatic Halides (substituted); Benzenesulfonyl Chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C6H2BrClF2O2S and molecular weight is 291.5. What's more, its systematic name is called 2-Bromo-4, 6-difluorobenzenesulfonyl chloride. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should avoid contact with reductive or oxidative matter, high temperature, flame.

Physical properties about Benzenesulfonylchloride, 2-bromo-4, 6-difluoro- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.91; (6)ACD/BCF (pH 7.4): 61.91; (7)ACD/KOC (pH 5.5): 667.03; (8)ACD/KOC (pH 7.4): 667.03; (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: 1.554; (14)Molar Refractivity: 48.34 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 19.16×10-24 cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.934 g/cm3; (19)Flash Point: 132.9 °C; (20)Enthalpy of Vaporization: 51.44 kJ/mol; (21)Boiling Point: 296.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00259 mmHg at 25 °C; (23)Melting Point: 41-44 °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. In addition, this chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1c(F)cc(F)cc1Br
(2) InChI: InChI=1/C6H2BrClF2O2S/c7-4-1-3(9)2-5(10)6(4)13(8,11)12/h1-2H
(3) InChIKey: LBDIILUAEZRJMW-UHFFFAOYAQ

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