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| CAS No.: | 21668-77-9 |
|---|---|
| Name: | Eprodisate |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H8O6S2 |
| Molecular Weight: | 204.225 |
| Synonyms: | 1,3-Propanedisulfonicacid; |
| Density: | 1.773g/cm3 |
| Melting Point: | 120-124 °C |
| Boiling Point: | 157 °C(Press: 1.4 Torr) |
| Hazard Symbols: |
 Xi;  C
|
| Risk Codes: | 36/37/38-34-20/21/22 |
| Safety: | 26-36-45-36/37/39-27 |
| PSA: | 125.50000 |
| LogP: | 1.31370 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- Total:24 Page 1 of 1 1
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Specification
1. Introduction of Eprodisate
The Eprodisate, with CAS registry number 21668-77-9, belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfonic/Sulfinic Acids; (3)Sulfur Compounds. It has the systematic name of propane-1,3-disulfonic acid. This chemical should be stored in cool, dry place in tightly closed containers and kept away from water source.
2. Properties of Eprodisate
Physical properties of Eprodisate: (1)ACD/LogP: -3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 103.5 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 36.63 cm3; (13)Molar Volume: 115.1 cm3; (14)Polarizability: 14.52×10-24cm3; (15)Surface Tension: 86.7 dyne/cm.
3. Structure Descriptors of Eprodisate
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CCCS(=O)(=O)O
(2)InChI: InChI=1/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)
(3)InChIKey: MGNVWUDMMXZUDI-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)
(5)Std. InChIKey: MGNVWUDMMXZUDI-UHFFFAOYSA-N
4. Safety Information of Eprodisate
When you are using this chemical, please be cautious about it as the following:
The Eprodisate irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. And it may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, taking off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)