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Benzenesulfonyl chloride, 2,5-dibromo-3,6-difluoro-

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Name

Benzenesulfonyl chloride, 2,5-dibromo-3,6-difluoro-

EINECS N/A
CAS No. 207853-66-5 Density 2.219 g/cm3
PSA 42.52000 LogP 4.49810
Solubility N/A Melting Point 68-73 °C
Formula C6HBr2ClF2O2S Boiling Point 331.3 °C at 760 mmHg
Molecular Weight 370.39 Flash Point 154.1 °C
Transport Information N/A Appearance cream crystals or crystalline powder
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 207853-66-5 (2,5-DIBROMO-3,6-DIFLUOROBENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2,5-Dibromo-3,6-difluorobenzenesulfonyl chloride;2,5-Dibromo-3,6-difluorobenzene-1-sulphonyl chloride;(3,6-Dibromo-2,5-difluorophenyl)chlorosulfone;

 

Benzenesulfonyl chloride, 2,5-dibromo-3,6-difluoro- Specification

The Benzenesulfonyl chloride, 2,5-dibromo-3,6-difluoro-, with the CAS registry number 207853-66-5, is also known as 2,5-Dibromo-3,6-difluorobenzene-1-sulphonyl chloride. This chemical's molecular formula is C6HBr2ClF2O2S and molecular weight is 370.39. What's more, its systematic name is 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride. It should be sealed and stored in a cool, ventilated and dry place. 

Physical properties of Benzenesulfonyl chloride, 2,5-dibromo-3,6-difluoro- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 448.17; (6)ACD/BCF (pH 7.4): 448.17; (7)ACD/KOC (pH 5.5): 2751.08; (8)ACD/KOC (pH 7.4): 2751.08; (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: 1.586; (14)Molar Refractivity: 56.06 cm3; (15)Molar Volume: 166.8 cm3; (16)Polarizability: 22.22×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 2.219 g/cm3; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 55.11 kJ/mol; (21)Boiling Point: 331.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000303 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(Br)c(F)cc1Br)S(Cl)(=O)=O
(2)InChI: InChI=1S/C6HBr2ClF2O2S/c7-2-1-3(10)4(8)6(5(2)11)14(9,12)13/h1H
(3)InChIKey: OTBDNAGWXGDPNX-UHFFFAOYSA-N

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