CAS No.53054-76-5,4-Pyridineethanesulfonic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53054-76-5
Name:	4-Pyridineethanesulfonic acid

Formula:	C7H9 N O3 S
Molecular Weight:	187.219
Synonyms:	2-(4-Pyridyl)ethanesulfonicacid; 4-(2-Sulfoethyl)pyridine; 4-Pyridylethylsulfonic acid; NSC 87853; g-(2-Sulfoethyl)pyridine
EINECS:	258-331-3
Density:	1.397 g/cm³
Melting Point:	297-299 ºC (dec.)
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Solubility:	soluble in acid and alkaline, almost insoluble water, cold methanol and ethanol.
Appearance:	Off-White to light yellow Powder
Hazard Symbols:
Risk Codes:	R36/37/38
Safety:	S26 S36/37/39 45
Transport Information:	UN 2585
PSA:	75.64000
LogP:	1.59270

Synthetic route

: 100-43-6
4-vinylpyridine

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

Conditions

Conditions	Yield
With sodium hydrogensulfite In water at 20℃;	90%
With water; sodium hydrogensulfite
With ethanol; sulfur dioxide

: 100-43-6
4-vinylpyridine

: 7732-18-5
water

: sodium hydrogensulfite

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

...Expand

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: 7732-18-5
water

: 20667-12-3
silver(l) oxide

: [μ3-2-(4-pyridyl)ethanesulfonato-N,O,O']-aqua-silver(I)

Conditions

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%

...Expand

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: 2-(pyridin-4-yl)ethanesulfonyl chloride hydrochloride

Conditions

Conditions	Yield
With phosphorus pentachloride In trichlorophosphate at 0 - 60℃; for 2h;	78%
With trichlorophosphate In tetrachloromethane

: 108-78-1
2,4,6-triamino-s-triazine

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: silver perchlorate

: 736149-73-8
melamine-[2-(4-pyridyl)ethanesulfonato-N]-silver(I)

Conditions

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%

...Expand

: 66-71-7
1,10-Phenanthroline

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: copper(II) nitrate trihydrate

: diaqua(1,10-phenanthroline)copper(II) sulfate

Conditions

Conditions	Yield
In methanol; water at 130℃; for 72h; Autoclave;	60%

...Expand

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: 123-08-0
4-hydroxy-benzaldehyde

: 111260-13-0
3-(4-Hydroxyphenyl)-2-(4-pyridinio)-2-propenesulfonate

Conditions

Conditions	Yield
With piperidine In dimethyl sulfoxide at 110℃; for 12h;	5%

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: 123-11-5
4-methoxy-benzaldehyde

: 111260-14-1
3-(4-Methoxyphenyl)-2-(4-pyridinio)-2-propenesulfonate

Conditions

Conditions	Yield
With piperidine In dimethyl sulfoxide	5%

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: N-3-(4-piperidineethanesulfonyl)-nipecotyl-3-aminopropionic acid.HCl

Conditions

Conditions	Yield
With 4-methyl-morpholine; hydrogenchloride; hydrogen; benzyl chloroformate; platinum(IV) oxide

: 53054-76-5
2-(pyridin-4-yl)-ethanesulfonic acid

: Zn(ClO4)2·2H2O

: 7732-18-5
water

: 292859-25-7
tetraaquabis[2-(4-pyridyl)ethanesulfonato-N]zinc(II)

Conditions

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;

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Chemistry

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: C₇H₉NO₃S
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 .

Uses

4-Pyridineethanesulfonic acid (CAS NO.53054-76-5) is used in organic synthesis and as pharmaceutical intermediates, sickle cell hemoglobin gelation inhibitor .

Safety Profile

Hazard Codes: Irritant 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