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Name	1,3,6,8-Pyrenetetrasulfonic acid tetrasodium salt	EINECS	229-423-0
CAS No.	59572-10-0	Density	2.015-2.15
PSA	262.32000	LogP	4.52360
Solubility	N/A	Melting Point	102-104°C(lit.)
Formula	C16H10 O12 S4 . 4 Na	Boiling Point	337-466℃
Molecular Weight	610.44	Flash Point	N/A
Transport Information	N/A	Appearance	green fine crystalline powder
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	1,3,6,8-Pyrenetetrasulfonicacid, tetrasodium salt (9CI);Tetrasodium 1,3,6,8-pyrenetetrasulfonate;Trasar23299;	Article Data	1

1,3,6,8-Pyrenetetrasulfonic acid tetrasodium salt Synthetic route

: 129-00-0
pyrene

: 59572-10-0
tetrasodium pyrene-1,3,6,8-tetrasulphonate

Conditions

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

: 7732-18-5
water

: 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

Conditions	Yield
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

Conditions	Yield
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%

: 7732-18-5
water

: 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

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

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

: 7732-18-5
water

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With hydrogenchloride; water for 168h;

: 59572-10-0
tetrasodium pyrene-1,3,6,8-tetrasulphonate

: calixpyridinium tetracation

: C16H6O12S4(4-)*C24H24N4(4+)

Conditions

Conditions	Yield
In aq. acetate buffer pH=7.2;

1,3,6,8-Pyrenetetrasulfonic acid tetrasodium salt 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+]

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