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831-59-4

Basic Information
CAS No.: 831-59-4
Name: 1,3-BENZENEDISULFONIC ACID DISODIUM SALT
Molecular Structure:
Molecular Structure of 831-59-4 (1,3-BENZENEDISULFONIC ACID DISODIUM SALT)
Formula: C6H4Na2O6S2
Molecular Weight: 282.206
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;
EINECS: 212-606-4
Density: 1.124 g/cm3
Solubility: Soluble in water( 663 g/L at 20°C).
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36
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
ConditionsYield
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; hexane67%

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
ConditionsYield
With CH3ONa In water stoich.; at room temp.; crysts. filtered; elem. anal.;85%
831-59-4

1,3-benzenedisulfonic acid disodium salt

36663-11-3

5-bromobenzene-1,3-disulfonic acid

Conditions
ConditionsYield
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
ConditionsYield
at 160℃; for 2h;78%

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

831-59-4

1,3-benzenedisulfonic acid disodium salt

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

Conditions
ConditionsYield
In acetonitrile for 0.0833333h; Heating;65%
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
ConditionsYield
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
ConditionsYield
In ethanol; water for 0.5h; Reflux;A 11%
B 35%
831-59-4

1,3-benzenedisulfonic acid disodium salt

62-53-3

aniline

5905-36-2

N,N'-diphenyl-m-phenylenediamine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
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  • 1,3-Benzenedisulfonicacid, sodium salt (1:2)  CAS NO.831-59-4

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    1,3-Benzenedisulfonicacid, sodium salt (1:2) CAS NO.831-59-4

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

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  • 1,3-BENZENEDISULFONIC ACID DISODIUM SALT

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  • Benzene-1,3-disulfonic acid disodium salt

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  • 1,3-Benzenedisulfonic acid disodium salt

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  • disodium benzene-1,3-disulphonate

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    831-59-4

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  • DisodiuM 1,3-Benzenedisulfonate

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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