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| CAS No.: | 585-47-7 |
|---|---|
| Name: | 1,3-BENZENEDISULFONYL CHLORIDE |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C6H4 Cl2 O4 S2 |
| Molecular Weight: | 275.133 |
| Synonyms: | m-Benzenedisulfonylchloride (6CI,7CI,8CI);1,3-Benzenedisulfonyl chloride;1,3-Bis(chlorosulfonyl)benzene;1,3-Phenylenebis(sulfonyl chloride);3-(Chlorosulfonyl)benzenesulfonyl chloride;NSC 61429;m-Benzenedisulfonyldichloride;m-Bis(chlorosulfonyl)benzene;m-Phenylenedisulfonyl chloride; |
| EINECS: | 209-556-0 |
| Density: | 1.69 |
| Melting Point: |
57-60 °C(lit.) |
| Boiling Point: | 145 °C / 1mmHg |
| Flash Point: | 196.7°C |
| Solubility: | Soluble in DMSO and methanol. Reacts with water. |
| Appearance: | Light Brown Solid |
| Hazard Symbols: | C |
| Risk Codes: | 34-37-42/43 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 3 |
| PSA: | 85.04000 |
| LogP: | 3.70320 |
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Specification
The 1,3-Benzenedisulfonyldichloride, with the cas registry number 585-47-7, has the IUPAC name of benzene-1,3-disulfonyl chloride. And its product categories are various, including Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 75.31; (6)ACD/BCF (pH 7.4): 75.31; (7)ACD/KOC (pH 5.5): 767.49; (8)ACD/KOC (pH 7.4): 767.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 85.04; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 54.04 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 21.42 ×10-24 cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.69 g/cm3; (19)Flash Point: 196.7 °C; (20)Enthalpy of Vaporization: 62.72 kJ/mol; (21)Boiling Point: 401.6 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-06 mmHg at 25°C; (23)Exact Mass: 273.892805; (24)MonoIsotopic Mass: 273.892805; (25)Topological Polar Surface Area: 85; (26)Heavy Atom Count: 14; (27)Formal Charge: 0; (28)Complexity: 351.
When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. For being a kind of corrosive chemical, it may destroy living tissue on contact. And it may causes burns. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)Cl
(2)InChI: InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
(3)InChIKey: ALIQZUMMPOYCIS-UHFFFAOYSA-N