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| CAS No.: | 3406-84-6 |
|---|---|
| Name: | 4,4'-BIPHENYLDISULFONYL CHLORIDE |
| Article Data: | 21 |
| Molecular Structure: | |
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|
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| Formula: | C12H8Cl2O4S2 |
| Molecular Weight: | 351.231 |
| Synonyms: | 4,4'-Biphenyldisulfonylchloride (6CI,7CI,8CI);4,4'-Biphenylylenedisulfonyl chloride;4,4'-Bis(chlorosulfonyl)biphenyl;NSC 2062; |
| EINECS: | 222-293-6 |
| Density: | 1.54 g/cm3 |
| Melting Point: | 205-208 °C (lit. ) |
| Boiling Point: | 476.7 °C at 760 mmHg |
| Flash Point: | 242.1 °C |
| Solubility: | Decomposes in contact with water,Insoluble in water |
| Hazard Symbols: |
 C
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| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 |
| PSA: | 85.04000 |
| LogP: | 5.37020 |
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Specification
The [1, 1'-Biphenyl]-4, 4'-disulfonyldichloride, with the CAS registry number of 3406-84-6, is also known as 4, 4'-Biphenyldisulfonyl chloride and 4, 4'-Bis(phenylsulphonyl) dichloride. It belongs to the product categories of Biphenyls (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Its EINECS registry number is 222-293-6. This chemical's molecular formula is C12H8Cl2O4S2 and molecular weight is 351.23. What's more, its IUPAC name is 4-(4-Chlorosulfonylphenyl)benzenesulfonyl chloride. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should avoid contact with light.
Physical properties about [1, 1'-Biphenyl]-4, 4'-disulfonyldichloride are: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 1340.81; (6)ACD/BCF (pH 7.4): 1340.81; (7)ACD/KOC (pH 5.5): 6027.93; (8)ACD/KOC (pH 7.4): 6027.93; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 85.04 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 78.75 cm3; (15)Molar Volume: 228 cm3; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.54 g/cm3; (18)Flash Point: 242.1 °C; (19)Enthalpy of Vaporization: 71.22 kJ/mol; (20)Boiling Point: 476.7 °C at 760 mmHg; (21)Vapour Pressure: 8.59E-09 mmHg at 25 °C.
Preparation: this chemical is prepared by Biphenyl at ambient temperature. The reaction needs reagent Chlorosulfonic acid. The reaction time is 7 days. The yield is about 85 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce Biphenyl-4, 4'-dithiol. This reaction needs reagents Zn; HCl; H2O. Meanwhile, it needs solvent Toluene. The reaction time is 2 hours with reaction temperature of 85 °C. The yield is about 91 %.
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When you are using this chemical, please be cautious about it as the following:
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: ClS(=O)(=O)c1ccc(cc1)c2ccc(cc2)S(Cl)(=O)=O
(2) InChI: InChI=1/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H
(3) InChIKey: OTFAWEIFBPUXOH-UHFFFAOYAM