1,2-Ethanedisulfonic Acid 1,2-Ethanedisulfonic Acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:110-04-3

MDL number:MFCD00069901

EINECS number:203-732-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: needle-like crystals

2. Solubility: soluble in ethanol and ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 32.00

2. Molar volume (cm³/mol): 198.6

3. Isotonic specific volume (90.2K ): 311.5

4. Surface tension (dyne/cm): 99.5

5. Polarizability (10^-24cm³): 12.68

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -2.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

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4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 114

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7. Number of heavy atoms: 10

8. Surface charge: -2

9. Complexity: 212

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond structure Number of stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

It is corrosive and irritating. Skin contact may cause allergic reactions. Operators should wear protective equipment.

Storage method

Synthesis method

1,2-Dichloroethane undergoes a displacement reaction with sodium sulfite to produce ethane disulfonic acid disodium salt. Dissolve the sodium salt in water, pass it through an exchange column equipped with 001×7 type strongly acidic styrene-based cation exchange resin (732#) at a speed of 2.5~3kg/h, and collect the exchange liquid in sections, with PH=3~1 part Containing more than 90% ethane disulfonic acid, it is concentrated under reduced pressure to remove water and becomes syrupy. Dry at 100℃ to get the finished product.

Purpose

Pharmaceutical intermediates. Used in the production of non-narcotic cough medicine Cemifene.