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Name |
4-Pyridineethanesulfonic acid |
EINECS | 258-331-3 |
CAS No. | 53054-76-5 | Density | 1.397 g/cm3 |
PSA | 75.64000 | LogP | 1.59270 |
Solubility | soluble in acid and alkaline, almost insoluble water, cold methanol and ethanol. | Melting Point |
297-299 ºC (dec.) |
Formula | C7H9 N O3 S | Boiling Point | °Cat760mmHg |
Molecular Weight | 187.219 | Flash Point | °C |
Transport Information | UN 2585 | Appearance | Off-White to light yellow Powder |
Safety | S26 S36/37/39 45 | Risk Codes | R36/37/38 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
2-(4-Pyridyl)ethanesulfonicacid; 4-(2-Sulfoethyl)pyridine; 4-Pyridylethylsulfonic acid; NSC 87853; g-(2-Sulfoethyl)pyridine |
4-vinylpyridine
2-(pyridin-4-yl)-ethanesulfonic acid
Conditions | Yield |
---|---|
With sodium hydrogensulfite In water at 20℃; | 90% |
With water; sodium hydrogensulfite | |
With ethanol; sulfur dioxide |
Conditions | Yield |
---|---|
In methanol; water mixt. of 2-(4-pyridyl)ethanesulfonic acid and Ag2O in CH3OH/H2O heated to 40°C for 1 h with vigorously stirring; cooled; filtered; crystals were obtained from mother liquor by slow evapn. at room temp. for several ds; elem. anal.; | 85% |
2-(pyridin-4-yl)-ethanesulfonic acid
Conditions | Yield |
---|---|
With phosphorus pentachloride In trichlorophosphate at 0 - 60℃; for 2h; | 78% |
With trichlorophosphate In tetrachloromethane |
2,4,6-triamino-s-triazine
2-(pyridin-4-yl)-ethanesulfonic acid
melamine-[2-(4-pyridyl)ethanesulfonato-N]-silver(I)
Conditions | Yield |
---|---|
In methanol mixt. of 2-(4-pyridyl)ethanesulfonic acid, melamine and AgClO4 in CH3OH heated to 40°C for 1 h with vigorously stirring; cooled; filtered; ppt. dissolved in DMSO; crystals were obtained by slow evapn. at room temp. for several ds; elem. anal.; | 62% |
1,10-Phenanthroline
2-(pyridin-4-yl)-ethanesulfonic acid
Conditions | Yield |
---|---|
In methanol; water at 130℃; for 72h; Autoclave; | 60% |
2-(pyridin-4-yl)-ethanesulfonic acid
4-hydroxy-benzaldehyde
3-(4-Hydroxyphenyl)-2-(4-pyridinio)-2-propenesulfonate
Conditions | Yield |
---|---|
With piperidine In dimethyl sulfoxide at 110℃; for 12h; | 5% |
2-(pyridin-4-yl)-ethanesulfonic acid
4-methoxy-benzaldehyde
3-(4-Methoxyphenyl)-2-(4-pyridinio)-2-propenesulfonate
Conditions | Yield |
---|---|
With piperidine In dimethyl sulfoxide | 5% |
2-(pyridin-4-yl)-ethanesulfonic acid
Conditions | Yield |
---|---|
With 4-methyl-morpholine; hydrogenchloride; hydrogen; benzyl chloroformate; platinum(IV) oxide |
2-(pyridin-4-yl)-ethanesulfonic acid
water
tetraaquabis[2-(4-pyridyl)ethanesulfonato-N]zinc(II)
Conditions | Yield |
---|---|
With pyridine; water 2-(4-pyridyl)ethanesulfonic acid and Zn(ClO4)2*2H2O added to water and pyridine; soln. was evapd. at room temp. for a few days; |
The molecular structure of 4-Pyridineethanesulfonic acid (CAS NO.53054-76-5) is
IUPAC Name: 2-Pyridin-4-ylethanesulfonic acid
Canonical SMILES: C1=CN=CC=C1CCS(=O)(=O)O
Molecular Formula: C7H9 NO3S
Molecular Weight: 187.21
EINECS: 258-331-3
Density: 1.397 g/cm3
Melting Point: 297-299 ºC (dec.)
Solubility: soluble in acid and alkaline, almost insoluble water, cold methanol and ethanol.
Appearance: Off-White to light yellow Powder
Freely Rotating Bonds: 3
Polar Surface Area: 64.64 Å2
Index of Refraction: 1.573
Molar Refractivity: 44.16 cm3
Molar Volume: 134 cm3
Polarizability: 17.5 ×10-24 cm3
Surface Tension: 63.2 dyne/cm
The Cas Register Number of 4-Pyridineethanesulfonic acid is 53054-76-5. The chemical synonyms of 4-Pyridineethanesulfonic acid (CAS NO.53054-76-5) are Pyrid-4-ylethylsulfonic acid ; Pyridin-4-ylethanesulphonic acid ; 4-Pyridyl-2-ethyl sulfonic acid ; 4-Pyridineethenesulfonic acid ; 4-Pyridineethanesulfonic acid .
4-Pyridineethanesulfonic acid (CAS NO.53054-76-5) is used in organic synthesis and as pharmaceutical intermediates, sickle cell hemoglobin gelation inhibitor .
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2585 8/PG 3
WGK Germany: 2
HazardClass: 8
PackingGroup: III