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CAS No. 21668-77-9 Density 1.773g/cm3
PSA 125.50000 LogP 1.31370
Solubility N/A Melting Point 120-124 °C
Formula C3H8O6S2 Boiling Point 157 °C(Press: 1.4 Torr)
Molecular Weight 204.225 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36-45-36/37/39-27 Risk Codes 36/37/38-34-20/21/22
Molecular Structure Molecular Structure of 21668-77-9 (Eprodisate) Hazard Symbols IrritantXi; CorrosiveC


Article Data 12

Eprodisate 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)
(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)

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.)

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