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CAS No.: | 72256-95-2 |
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Name: | 2,4-DIBROMOBENZENESULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C6H3Br2ClO2S |
Molecular Weight: | 334.416 |
Synonyms: | 2,4-Dibromobenzenesulfonylchloride; |
EINECS: | -0 |
Density: | 2.11g/cm3 |
Melting Point: | 82-86 °C(lit.) |
Boiling Point: | 338.6 °C at 760 mmHg |
Flash Point: | 158.6 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 42.52000 |
LogP: | 4.21990 |
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The IUPAC name of this chemical is 2,4-Dibromobenzenesulfonyl Chloride. With the CAS registry number 72256-95-2, it is also named as Benzenesulfonylchloride, 2,4-dibromo-. In addition, the molecular formula is C6H3Br2ClO2S and the molecular weight is 334.41. It is sensitive with moisture and belongs to the classes of Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And It should be stored in a airtight, cool and dry place. The storage place must stay away from oxidant.
Physical properties about 2,4-Dibromobenzenesulfonyl Chloride are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 271.53; (6)ACD/BCF (pH 7.4): 271.53; (7)ACD/KOC (pH 5.5): 1921.92; (8)ACD/KOC (pH 7.4): 1921.92; (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: 1.622; (14)Molar Refractivity: 55.84 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 22.13 ×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 2.11 g/cm3; (19)Flash Point: 158.6 °C; (20)Enthalpy of Vaporization: 55.89 kJ/mol; (21)Boiling Point: 338.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00019 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. 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. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). If anarchic license, do not put this material into surroundings.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccc(Br)cc1Br
(2)InChI: InChI=1/C6H3Br2ClO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
(3)InChIKey: OMOXIKAWVFDFNX-UHFFFAOYAU