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Cas Database

Name	Eprodisate disodium	EINECS	N/A
CAS No.	36589-58-9	Density	1.773 g/cm³
PSA	131.16000	LogP	0.62850
Solubility	Partially soluble in cold water, hot water.	Melting Point	> 300 °C
Formula	C₃H₈O₆S₂	Boiling Point	N/A
Molecular Weight	248.189	Flash Point	N/A
Transport Information	N/A	Appearance	White coarse powder
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	NC-503;Eprodisate Disodium [USAN];propane-1,3-disulfonic acid;disodium propane-1,3-disulfonate;1,3-Propanedisulfonic acid, disodium salt;	Article Data	9

Eprodisate disodium Synthetic route

: 90566-47-5
4,4,8,8-tetraoxo-4λ6,8λ6-dithia-undecanedinitrile

: 36589-58-9
sodium α,ω-alkanedisulfonate

Conditions

Conditions	Yield
With sodium methylate In methanol for 25h;	85%

: 109-64-8
1,3-dibromo-propane

: 36589-58-9
sodium α,ω-alkanedisulfonate

Conditions

Conditions	Yield
With sodium sulfite In not given Heating;
With sodium sulfite Heating;
With sodium sulfite In water Substitution; sulfonation; Heating;
With sodium sulfite

: neodymium(III) nitrate hexahydrate

: 7732-18-5
water

: 36589-58-9
sodium α,ω-alkanedisulfonate

: 1310-73-2
sodium hydroxide

: C3H6O6S2(2-)*4HO(1-)*2Nd(3+)*2H2O

Conditions

Conditions	Yield
at 150℃; for 72h; pH=7; Autoclave; High pressure;	81%

: 553-26-4
4,4'-bipyridine

: cadmium(II) nitrate tetrhydrate

: 36589-58-9
sodium α,ω-alkanedisulfonate

: [Cd(H2O)4(4,4'-bipyridine)][1,3-propanedisulfonate]

Conditions

Conditions	Yield
In water High Pressure; mixt. Cd(NO3)2*4H2O, PDSNa2, 4,4'-bipy and water was heated in Teflon lined autoclave at 180°C for 3 days; react. mixt. was cooled to room temp. at 6°C/h, ppt. was filteredand rinsed with water/acetone; elem. anal.;	70.5%

: 36589-58-9
sodium α,ω-alkanedisulfonate

: 82203-69-8
barium 1,3-propanedisulfonate

Conditions

Conditions	Yield
With barium chloride monohydrate In water at 80℃; for 2h;	62%
With barium dihydroxide; ion-exchange resin Multistep reaction;

: 36589-58-9
sodium α,ω-alkanedisulfonate

: 82203-68-7
propane-1,3-disulfonic acid ; calcium salt

Conditions

Conditions	Yield
With calcium hydroxide; ion-exchange resin Multistep reaction;

: 36589-58-9
sodium α,ω-alkanedisulfonate

: C3H6O6S2(2-)*2H2O*Mg(2+)

Conditions

Conditions	Yield
With ion-exchange resin; magnesium oxide Multistep reaction;

: 6C45H30N10*12Ag(1+)*12C2F6NO4S2(1-)

: 36589-58-9
sodium α,ω-alkanedisulfonate

: 6C45H30N10*12Ag(1+)*10C2F6NO4S2(1-)*C3H6O6S2(2-)

Conditions

Conditions	Yield
In [D3]acetonitrile at 20℃; for 18h; Inert atmosphere; Darkness;

: lanthanum(III) nitrate hexahydrate

: 36589-58-9
sodium α,ω-alkanedisulfonate

: C3H6O6S2(2-)*4HO(1-)*2La(3+)*2H2O

Conditions

Conditions	Yield
With hexamethylenetetramine In water at 100 - 120℃; Inert atmosphere;

Eprodisate disodium Specification

The Eprodisate disodium, with the CAS registry number 36589-58-9, is also known as Disodium propane-1,3-disulfonate. It belongs to the product categories of Organic Building Blocks; Sulfonic/Sulfinic Acid Salts; Sulfur Compounds. This chemical's molecular formula is C₃H₆Na₂O₆S₂ and molecular weight is 248.19. Its IUPAC name is called disodium propane-1,3-disulfonate. This chemical's classification code is Treatment of secondary (AA) amyloidosis. What's more, it is white coarse powder.

Physical properties of Eprodisate disodium: (1)ACD/LogP: -3.47; (2)ACD/LogD (pH 5.5): -7.97; (3)ACD/LogD (pH 7.4): -7.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
(2)InChI: InChI=1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2
(3)InChIKey: DKGJFKPIUSHDIT-UHFFFAOYSA-L

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