CAS No.3918-73-8,1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3918-73-8
Name:	1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane
Article Data:	4

Formula:	C₈H₁₁NO₄S
Molecular Weight:	217.246
Synonyms:	Pyridinium, 1-(2-hydroxy-3-sulfopropyl)-,hydroxide, inner salt (8CI);Pyridinium-N-(2-hydroxy)propane-3-sulfonic acid;Quats 6.2;Pyridinium hydroxy propyl sulfobetaine;1-(2-Hydroxy-3-sulfopropyl)pyridiniumhydroxide, inner salt (7CI);
EINECS:	223-485-2
Density:	1.30 g/cm³
Boiling Point:	111oC
Solubility:	1280g/L at 23℃
Appearance:	White powder
PSA:	89.69000
LogP:	-0.03900

Synthetic route

: 110-86-1
pyridine

: 106-89-8
epichlorohydrin

: 3918-73-8
1-(2-hydroxy-3-sulfo-propyl)-pyridinium betaine

Conditions

Conditions	Yield
With sodium metabisulfite; tetrabutylammomium bromide; sodium sulfite In water at 30 - 50℃; under 18751.9 - 26252.6 Torr; Temperature; Pressure; Large scale;	99.1%

: 110-86-1
pyridine

: 107-57-3
3-chloro-2-hydroxypropane-1-sulfonic acid

: 3918-73-8
1-(2-hydroxy-3-sulfo-propyl)-pyridinium betaine

Conditions

Conditions	Yield
at 100℃;
at 100℃;

: 110-86-1
pyridine

(+-)-sodium-<3-chloro-2-hydroxy-propane-1-sulfonate>: (+-)-sodium-<3-chloro-2-hydroxy-propane-1-sulfonate>

: 3918-73-8
1-(2-hydroxy-3-sulfo-propyl)-pyridinium betaine

Conditions

Conditions	Yield
at 150℃;

Total:114 Page 1 of 3 1 2 3 Next>>

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Specification

The 1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane is an organic compound with the formula C₈H₁₁NO₄S. The IUPAC name of this chemical is 2-hydroxy-3-pyridin-1-ium-1-ylpropane-1-sulfonate. With the CAS registry number 3918-73-8, it is also named as Pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt. The other registry number is 68928-53-0. In addition, this chemical is an efficient light additive used in the preparation of electroplating brightener and strong leveling agent of nickel plating.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -6.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.07; (4)ACD/LogD (pH 7.4): -6.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.86 Å²; (13)Rotatable Bond Count: 3; (14)Exact Mass: 217.040879; (15)MonoIsotopic Mass: 217.040879; (16)Topological Polar Surface Area: 89.7; (17)Heavy Atom Count: 14; (18)Complexity: 240; (19)Undefined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES:[O-]S(=O)(=O)CC(O)C[n+]1ccccc1
2. InChI:InChI=1/C8H11NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
3. InChIKey:RJPRZHQPROLZRW-UHFFFAOYAC
4. Std. InChI:InChI=1S/C8H11NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
5. Std. InChIKey:RJPRZHQPROLZRW-UHFFFAOYSA-N

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1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane