1,3-Benzenedisulfonyl Chloride
- CAS NO.：585-47-7
- Empirical Formula: C6H4Cl2O4S2
- Molecular Weight: 275.13
- MDL number: MFCD00041879
- EINECS: 209-556-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-02-04 22:50:30
What is 1,3-Benzenedisulfonyl Chloride?
Chemical properties
Light Brown Solid
The Uses of 1,3-Benzenedisulfonyl Chloride
1,3-Benzenedisulfonyl chloride is used as a pharmaceutical intermediates.
Production Methods
Manufactured from m-benzenedisulfonic acid and phosphorus pentachloride or from benzenesulfochloride andchlorosulfuric acid.
General Description
Benzene-1,3-disulfonyl chloride (BDD) or 1,3-benzenedisulfonyl chloride is dichloride of 1,3-benzenedisulfonic acid. It is a colorless (white) crystalline solid with a melting point of 59-62 °C. It is soluble in common organic solvents. Compounds are sensitive to moisture and react in water; therefore, they should be stored in dry conditions. It has corrosive properties and can cause severe skin burns and eye damage.
Purification Methods
Crystallise it from CHCl3 (EtOH free, by passing through an alumina column) or *C6H6/pet ether and dry it at 20mm pressure. [Beilstein 11 IV 553.]
Properties of 1,3-Benzenedisulfonyl Chloride
| Melting point: | 57-60 °C(lit.) |
| Boiling point: | 145 °C / 1mmHg |
| Density | 1.6494 (estimate) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Dichloromethane, DMSO |
| form | solid |
| color | Off-White to Light Brown |
| Water Solubility | Soluble in DMSO and methanol. Reacts with water. |
| Sensitive | Moisture Sensitive |
| BRN | 1118508 |
| InChI | InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H |
| CAS DataBase Reference | 585-47-7(CAS DataBase Reference) |
| EPA Substance Registry System | 1,3-Benzenedisulfonyl dichloride (585-47-7) |
Safety information for 1,3-Benzenedisulfonyl Chloride
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Health Hazard GHS08 |
| GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. P390:Absorb spillage to prevent material damage. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. P501:Dispose of contents/container to..… |
Computed Descriptors for 1,3-Benzenedisulfonyl Chloride
| InChIKey | ALIQZUMMPOYCIS-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=CC(S(Cl)(=O)=O)=C1 |
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