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Tiron
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  • Name Tiron
  • EINECS205-741-5
  • CAS No. 149-45-1
  • Density2.064g/cm3 at 20℃
  • PSA180.85000
  • LogP1.00330
  • Solubilitysoluble
  • Melting Point300 °C
  • FormulaC6H4Na2O8S2
  • Boiling PointN/A
  • Molecular Weight314.204
  • Flash PointN/A
  • Transport InformationN/A
  • Appearancelight tan powder
  • Safety26-36
  • Risk Codes Xi:Irritant;
  • Molecular Structure
    Molecular Structure of 149-45-1 (Tiron)
  • Hazard SymbolsR36/37/38:;
  • SynonymsR36/37/38:;
  • Article Data2

Tiron Synthetic route

120-80-9

benzene-1,2-diol

149-45-1

tiron

Conditions
ConditionsYield
Stage #1: benzene-1,2-diol With sulfuric acid at 95℃; for 5h;
Stage #2: With sodium hydroxide In water at 50℃; Product distribution / selectivity;		73%
Stage #1: benzene-1,2-diol With sulfuric acid at 20 - 90℃;
Stage #2: With sodium hydrogen sulfate monohydrate In water at 50℃; Product distribution / selectivity;
66-71-7

1,10-Phenanthroline

holmium(III) nitrate hexahydrate

149-45-1

tiron

C42H28Ho2N4O24S6

Conditions
ConditionsYield
In ethanol; water at 20 - 150℃; for 49h;97.5%
66-71-7

1,10-Phenanthroline

lutetium(III) nitrate hexahydrate

149-45-1

tiron

C42H28Lu2N4O24S6

Conditions
ConditionsYield
In ethanol; water at 20 - 150℃; for 49h;94.5%
66-71-7

1,10-Phenanthroline

iron(III) chloride hexahydrate

149-45-1

tiron

Fe(1,10-phenanthroline)3·4,5-dihydroxy-1,3-benzenedisulfonate

Conditions
ConditionsYield
In water for 1h; Reflux;85%

terbium(III) chloride

149-45-1

tiron

123-54-6

acetylacetone

Na2Tb(2,4-pentanedione)3(4,5-dihydroxy-1,3-benzenedisulfonic acid(-2H))

Conditions
ConditionsYield
In ethanol; water at 60℃; for 1h;82.94%
366-18-7

[2,2]bipyridinyl

iron(III) chloride hexahydrate

149-45-1

tiron

Fe(2,2'-bipyridine)3·4,5-dihydroxy-1,3-benzenedisulfonate·5H2O

Conditions
ConditionsYield
In water for 1h; Reflux;80%
66-71-7

1,10-Phenanthroline

149-45-1

tiron

C48H38N6O21S4Sr3(2-)*1.5C12H8N2*2H(1+)*8H2O

Conditions
ConditionsYield
Stage #1: 1,10-Phenanthroline; tiron With water; sodium hydroxide; strontium chloride for 3h; pH=5;
Stage #2: at 120℃; for 48h; Autoclave; High pressure;		75%
149-45-1

tiron

106-89-8

epichlorohydrin

2-hydroxymethyl-1,4-benzodioxanedisulfonic acid disodium salt

Conditions
ConditionsYield
Stage #1: tiron With sodium carbonate In water at 20℃; for 0.166667h;
Stage #2: epichlorohydrin In water at 20 - 70℃; for 15h;		73%
149-45-1

tiron

[NaSr(HTiron)(H2O)5]·H2O

Conditions
ConditionsYield
Stage #1: tiron With strontium (III) chloride hexahydrate In water for 1h; High pressure;
Stage #2: In water at 130℃; for 72h; Sealed tube; High pressure;		72%
75-21-8

oxirane

149-45-1

tiron

disodium 4,5-bis(2-hydroxyethoxy)-1,3-benzenedisulfonate

Conditions
ConditionsYield
With calcium chloride at 50℃; for 24h;70%

Tiron Consensus Reports

Reported in EPA TSCA Inventory.

Tiron Specification

The 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt, also known as Tiferron, is an organic compound with the formula C6H4Na2O8S2. It belongs to the product category of Aromatic Phenols. Its EINECS registry number is 205-741-5. With the CAS registry number 149-45-1, its IUPAC name is disodium 4,5-dihydroxybenzene-1,3-disulfonate. What's more, this chemical is a light tan powder.

Physical properties of 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt: (1)ACD/LogP: -4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -8.9; (4)ACD/LogD (pH 7.4): -9.06; (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: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 143.96 Å2.

Preparation: this chemical can be prepared by pyrocatechol and fuming sulfuric acid. This reaction will need reagent Na2CO3 and BaCO3.

1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt can be prepared by pyrocatechol and fuming sulfuric acid

Uses of 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt: it can be used for synthetic of organic intermediates. In addition, it can also be used for color determination of titanium, iron, mo. Meanwhile, this chemical also can be used as colour-developing agent for the determination of rare earth elements mn, ti, ce, niobium and molybdenum etc.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+]
(2)InChI: InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
(3)InChIKey: ISWQCIVKKSOKNN-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6060mg/kg (6060mg/kg)   Toxicology. Vol. 62, Pg. 203, 1990.
 

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