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| CAS No.: | 23886-64-8 |
|---|---|
| Name: | 2,5-DIBROMOBENZENESULFONYL CHLORIDE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H3Br2ClO2S |
| Molecular Weight: | 334.416 |
| Synonyms: | 查看更多英文别名"> 2,5-dibromophenylsulfonyl chloride;2,5-dibromobenzene-1-sulfonyl chloride;2,5-Dibrom-benzolsulfonylchlorid;2,5-Dibromobenzenesulfonyl Chloride;2,5-Dibromobenzene-1-sulfonyl chloride;2,5-DiBrPhSO2Cl;2,5-dibromo-benzenesulfonyl chloride;2,5-dibromobenzenesulphonyl chloride;2,4-DICHLOROBENZENEPROPANAL;查看更多英文别名 |
| EINECS: | -0 |
| Density: | 2.11 g/cm3 |
| Melting Point: | 69-73 °C(lit.) |
| Boiling Point: | 364.4 °C at 760 mmHg |
| Flash Point: | 174.2 °C |
| Hazard Symbols: |
 C
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| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 42.52000 |
| LogP: | 4.21990 |
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Specification
The IUPAC name of this chemical is 2,5-Dibromobenzenesulfonyl chloride. With the CAS registry number 23886-64-8, it is also named as Benzenesulfonyl chloride,2,5-dibromo-. In addition, the molecular formula is C6H3Br2ClO2S and the molecular weight is 334.41. It is a kind of white or light orange crystal powder and belongs to the classes of Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. It is sensitive moisture. What's more, it should be stored in sealed container, and put them in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 372.7; (6)ACD/BCF (pH 7.4): 372.7; (7)ACD/KOC (pH 5.5): 2410.9; (8)ACD/KOC (pH 7.4): 2410.9; (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: 174.2 °C; (20)Enthalpy of Vaporization: 58.66 kJ/mol; (21)Boiling Point: 364.4 °C at 760 mmHg; (22)Vapour Pressure: 3.53E-05 mmHg at 25°C.
Uses of 2,5-Dibromobenzenesulfonyl chloride: it can be used to get 2,5-dibromobenzenesulphonyl hydrazide. This reaction will need reagent hydrazine hydrate and solvent ethanol. The reaction time is 30 minutes at ambient temperature. The yield is about 82%.
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.). Although it is slightly harmful to the water, 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)c1cc(Br)ccc1Br
(2)InChI: InChI=1/C6H3Br2ClO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
(3)InChIKey: ZLMPLIWURYRGEB-UHFFFAOYAA