1,3-Benzenedisulfonicacid, sodium salt (1:2) supplier

Name
1,3-BENZENEDISULFONIC ACID DISODIUM SALT
EINECS 212-606-4
CAS No. 831-59-4
Density 1.124 g/cm³
Solubility Soluble in water( 663 g/L at 20°C).
Melting Point
Formula C₆H₄Na₂O₆S₂
Boiling Point
Molecular Weight 282.206
Flash Point
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 1,3-Benzenedisulfonicacid, disodium salt (9CI);m-Benzenedisulfonic acid, disodium salt (8CI);Disodium 1,3-benzenedisulfonate;Disodium benzene-1,3-disulfonic acid;Disodiumm-benzenedisulfonate;
PSA 131.16000
LogP 1.65640

Synthetic route

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 585-47-7
benzene-1,3-disulfonyl chloride

Conditions

Conditions	Yield
With thionyl chloride for 0.333333h; Reagent/catalyst; Reflux;	96%
With phosphorus pentachloride at 90℃; for 16h;	76%
With thionyl chloride In N-methyl-acetamide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; hexane	67%

: copper(II) choride dihydrate

: 74-79-3
L-arginine

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: trans-[copper(II)(L-arginine)2](1,3-benzenedisulfonate) hexahydrate

Conditions

Conditions	Yield
With CH3ONa In water stoich.; at room temp.; crysts. filtered; elem. anal.;	85%

...Expand

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 36663-11-3
5-bromobenzene-1,3-disulfonic acid

Conditions

Conditions	Yield
With N-Bromosuccinimide; sulfuric acid at 20℃; for 12h;	83%

: bismuth (III) nitrate pentahydrate

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 6Bi(3+)*4O(2-)*4HO(1-)*3C6H4O6S2(2-)*10H2O

Conditions

Conditions	Yield
at 160℃; for 2h;	78%

: C42H28Br2CoN6(2+)*2ClO4(1-)*3C3H7NO

: 7732-18-5
water

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 2H2O*C42H28Br2CoN6(2+)*C6H4O6S2(2-)

Conditions

Conditions	Yield
In acetonitrile for 0.0833333h; Heating;	65%

...Expand

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 2633-66-1
2-mesitylmagnesium bromide

: 103068-13-9
2,2'',4,4'',6,6''-hexamethyl-1,1':3',1''-terphenyl

Conditions

Conditions	Yield
With bis(tricyclohexylphosphine)nickel(II) dichloride In tetrahydrofuran at 60℃; for 48h; Sealed tube; Inert atmosphere;	54%

: 66-71-7
1,10-Phenanthroline

: copper(II) choride dihydrate

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: [Cu(1,10-phenanthroline)3](1,3-benzenedisulphonate)*7H2O

B: 1612761-14-4
[Cu(1,10-phenanthroline)2](1,3-benzenedisulphonate)

Conditions

Conditions	Yield
In ethanol; water for 0.5h; Reflux;	A 11% B 35%

...Expand

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 62-53-3
aniline

: 5905-36-2
N,N'-diphenyl-m-phenylenediamine

Conditions

Conditions	Yield
With sodium; copper 1.) 180 deg C, 3 h, 2.) 230 deg C, 30 h;; Yield given. Multistep reaction;

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 3701-01-7
benzene-1,3-disulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: PCl5 / 2 h 2: aq. NH3 View Scheme
Multi-step reaction with 2 steps 1: PCl5 / 2 h / 40 - 50 °C 2: 90 percent / NH3 / CHCl3 View Scheme
Multi-step reaction with 2 steps 1: PCl5 / 2 h 2: NH3 / CHCl3 View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 848408-54-8
N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: PCl5 / 2 h 2: aq. NH3 3: 90 percent / aq. NaOH; Br2 View Scheme
Multi-step reaction with 3 steps 1.1: PCl5 / 2 h / 40 - 50 °C 2.1: 90 percent / NH3 / CHCl3 3.1: aq. NaOH / 20 °C 3.2: 90 percent / Br2 / 6 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: PCl5 / 2 h 2: NH3 / CHCl3 3: 90 percent / aq. NaOH; Br2 View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 1547-91-7
3-fluorobenzenesulfonyl fluoride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: phosphoryl chloride / acetonitrile; tetrahydrothiophene 1,1-dioxide; N,N-dimethyl-acetamide / 3 h / 70 °C 2: 87 percent / KF, Ph4PBr / acetonitrile / 16 h / Heating 3: 74 percent / KF, PPh4Br / tetrahydrothiophene 1,1-dioxide; toluene / 5 h / 210 °C / 270 Torr View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 7552-55-8
1,3-benzenedisulfonyl difluoride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphoryl chloride / acetonitrile; tetrahydrothiophene 1,1-dioxide; N,N-dimethyl-acetamide / 3 h / 70 °C 2: 87 percent / KF, Ph4PBr / acetonitrile / 16 h / Heating View Scheme
Multi-step reaction with 2 steps 1: phosphorus pentachloride / 16 h / 90 °C 2: potassium hydrogen difluoride / water; acetonitrile / 3 h / 20 °C View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 69031-60-3
5-nitrobenzene-1,3-disulfonic acid disodium salt

Conditions

Conditions	Yield
With sodium nitrate In sulfuric acid; water
With sulfuric acid; nitric acid

: 14634-91-4
ferroin

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: tris(1,10-phenanthroline)iron(II), m-benzenedisulfonate salt

Conditions

Conditions	Yield
With water In water recrystd. twice from water, air-dried at room temp., water of crystn. determined by Karl-Fischer method;

: bis(2,2'-bipyridine)dichlororuthenium(II) dihydrate

: 1758-68-5
1,2-diamino-9,10-anthraquinone

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: [Ru(2,2'-bipyridine)2(1,2-diimino-9,10-anthraquinone)](1,3-benzenedisulfonate) * 6.5 H2O

Conditions

Conditions	Yield
With MeOH; AgNO3 In methanol byproducts: AgCl; stirring Ru-complex with AgNO3 for 5 h, filtration off of AgCl, addn. ofquinone (under Ar), stirring and refluxing for 24 h, filtration (in air ), evapn., dissoln. in water, filtration, extn. with CHCl3, addn. of disulfonate to aq. layer; crystn. on standing, storage in moist atmosphere; elem. anal.;

...Expand

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: C12H9BrClNO4S2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: trichlorophosphate / 100 °C 2: triethylamine / dichloromethane / 20 °C View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 1445786-29-7
C15H15BrN2O5S2

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: trichlorophosphate / 100 °C 2: triethylamine / dichloromethane / 20 °C 3: triethylamine / dichloromethane / 2 h / 20 °C View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: C8H4F6N2O8S4(2-)*C11H18N4(2+)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere 3.1: water / 1 h / 20 °C View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: C13H22N4(2+)*C8H4F6N2O8S4(2-)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere 3.1: water / 1 h / 20 °C View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: C11H18N4(2+)*C8H4N4O4S2(2-)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere 3.1: water / 2 h / 20 °C View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: C8H6F6N2O8S4*2C6H15N

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere View Scheme

: C19H20F2N2O2*ClH

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: C44H42F4N4O8S2

Conditions

Conditions	Yield
Stage #1: 1,3-benzenedisulfonic acid disodium salt With thionyl chloride In N,N-dimethyl-formamide at 80℃; for 24h; Stage #2: C19H20F2N2O2*ClH With triethylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 19h;	62.1 mg

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 126766-74-3
5-phosphonobenzene-1,3-disulfonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: N-Bromosuccinimide; sulfuric acid / 12 h / 20 °C 2.1: tetra(n-butyl)ammonium hydroxide / water / pH 7 2.2: 1 h / 220 °C / Microwave irradiation 2.3: 12 h / 120 °C View Scheme

: C72H76N16O8Pd2(4+)*4NO3(1-)

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: C72H76N16O8Pd2(4+)*C6H4O6S2(2-)

Conditions

Conditions	Yield
In d(4)-methanol; water-d2 at 22℃;

1,3-Benzenedisulfonicacid, sodium salt (1:2) Specification

The 1,3-Benzenedisulfonicacid, sodium salt (1:2), with the CAS registry number 831-59-4, is also known as m-Benzenedisulfonic acid disodium salt. Its EINECS registry number is 212-606-4. This chemical's molecular formula is C₆H₄Na₂O₆S₂ and molecular weight is 282.2. What's more, both its IUPAC name and systematic name are the same which is called Disodium benzene-1,3-disulfonate. It should be kept in a cold and dry place.

Physical properties about 1,3-Benzenedisulfonicacid, sodium salt (1:2) are: (1) ACD/LogP: -0.26; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -4.76; (4) ACD/LogD (pH 7.4): -4.76; (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: 6; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 125.5 Å²; (13) Density: 1.124 g/cm³.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].O=S([O-])(=O)c1cccc(c1)S([O-])(=O)=O
(2) InChI: InChI=1/C6H6O6S2.2Na/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
(3) InChIKey: XWPWZOJBTOJEGW-NUQVWONBAK

Product Name

1,3-BENZENEDISULFONIC ACID DISODIUM SALT

Synthetic route

1,3-Benzenedisulfonicacid, sodium salt (1:2) Specification

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