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59572-10-0

Basic Information
CAS No.: 59572-10-0
Name: 1,3,6,8-PYRENETETRASULFONIC ACID TETRASODIUM SALT
Article Data: 1
Molecular Structure:
Molecular Structure of 59572-10-0 (1,3,6,8-PYRENETETRASULFONIC ACID TETRASODIUM SALT)
Formula: C16H10 O12 S4 . 4 Na
Molecular Weight: 610.44
Synonyms: 1,3,6,8-Pyrenetetrasulfonicacid, tetrasodium salt (9CI);Tetrasodium 1,3,6,8-pyrenetetrasulfonate;Trasar23299;
EINECS: 229-423-0
Density: 2.015-2.15
Melting Point: 102-104°C(lit.)
Boiling Point: 337-466℃
Appearance: green fine crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 262.32000
LogP: 4.52360
Synthetic route
129-00-0

pyrene

59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

Conditions
ConditionsYield
Stage #1: pyrene With sulfuric acid at 90℃; for 1h;
Stage #2: With sulfur at 40 - 100℃; for 8h; Concentration;
59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

silver nitrate

603-35-0

triphenylphosphine

[Ag4(1,3,6,8-pyrenetetrasulfonate)(triphenylphosphine)10]*8H2O

Conditions
ConditionsYield
With aq. NH3 In methanol; water aq. soln. of NH3 added to mixt. of Na salt of ligand and AgNO3 in MeOH; PPh3 in MeOH added; heated and stirred for several min; filtered; filtrate evapd. in the dark for several d; recrystd. from MeOH; elem. anal.;71%
290-37-9

1,4-pyrazine

59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

silver nitrate

Ag4(1,3,6,8-pyrenetetrasulfonate)(pyrazine)4(H2O)2

Conditions
ConditionsYield
With NH4OH In methanol; water mixt. sodium 1,3,6,8-pyrenetetrasulfonate and AgNO3 in water was stirredfor 5 min, pyrazine in MeOH was added; aq. soln. NH3 was added, soln. was kept in the dark for several days; elem. anal.;50%
59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

dysprosium nitrate

68-12-2, 33513-42-7

N,N-dimethyl-formamide

{[Dy4(μ-pyrene-1,3,6,8-tetrasulfonate)(μ4-pyrene-1,3,6,8-tetrasulfonate)2-(DMF)20(H2O)2]*4DMF*4H2O}n

Conditions
ConditionsYield
at 120℃; for 12h; Autoclave; High pressure;47%

[(pentamethylcyclopentadienyl)Rh(2,2’-bipyridyl)H2O]2+

59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

[(C5(CH3)5)Rh(2,2'-bipyridne)(water)]2[pyrene-1,3,6,8-tetrasulfonate]*7H2O

Conditions
ConditionsYield
In water prepn. of aq. soln. of rhodium compd. and pyrene deriv. with pH 7; slow evapn., isolation of crystals, X-ray anal.;
2052-49-5

tetra(n-butyl)ammonium hydroxide

59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

1,3,6,8-pyrenetetrasulfonic acid tetrabutylammonium salt

Conditions
ConditionsYield
In dichloromethane
In dichloromethane
646-25-3

diaminodecane

50-01-1

guanidine hydrochloride

59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

C16H10O12S4*C10H24N2*2CH5N3

Conditions
ConditionsYield
With hydrogenchloride; water for 168h;
822-08-2

1,11-diaminoundecane

50-01-1

guanidine hydrochloride

59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

C16H10O12S4*C11H26N2*2CH5N3

Conditions
ConditionsYield
With hydrogenchloride; water for 168h;
2783-17-7

1,12-Diaminododecane

50-01-1

guanidine hydrochloride

59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

C16H10O12S4*C12H28N2*2CH5N3

Conditions
ConditionsYield
With hydrogenchloride; water for 168h;
59572-10-0

tetrasodium pyrene-1,3,6,8-tetrasulphonate

calixpyridinium tetracation

C16H6O12S4(4-)*C24H24N4(4+)

Conditions
ConditionsYield
In aq. acetate buffer pH=7.2;
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Specification

1,3,6,8-Pyrenetetrasulfonic acid tetrasodium salt is also named as PYRENE-1,3,6,8-TETRASULFONIC ACID TETRA SODIUM SALT; PYRENE-1,3,6,8-TETRASULFONIC ACID TETRASODIUM SALT HYDRATE; 1,3,6,8-PYRENETETRASULFONIC ACID TETRASODIUM SALT; 1,3,6,8-pyrenetetrasulfonic acid; 1,3,6,8-Pyrenetetrasulfonic acid tetrasodium salt hydrate; tetrasodium 1,3,6,8-pyrenetetrasulfonate hydrate; PYRENE-1,3,6,8-TETRASULFONATE; 1,3,6,8-Pyrenetetrasulfonic acid hydrate tetrasodium salt. With the CAS NO.59572-10-0, it belongs to the Product Categories of Intermediates of Dyes and Pigments.

Physical properties about 1,3,6,8-Pyrenetetrasulfonic acid tetrasodium salt are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.29; (4)ACD/LogD (pH 7.4): -6.29; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 12; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4

You can still convert the following datas into molecular structure:
(1)InChI=1S/C16H10O12S4.4Na/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10;;;;/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28);;;;/q;4*+1/p-4;
(2)InChIKey=UZBIRLJMURQVMX-UHFFFAOYSA-J;
(3)SmilesS(c1c2c3c4c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4cc2)ccc3c(S(=O)(=O)[O-])c1)(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]