Tiron supplier | CasNO.149-45-1

Name
Tiron
EINECS 205-741-5
CAS No. 149-45-1
Article Data2
CAS DataBase
Density 2.064g/cm3 at 20℃
Solubility soluble
Melting Point 300 °C
Formula C₆H₄Na₂O₈S₂
Boiling Point
Molecular Weight 314.204
Flash Point
Transport Information
Appearance light tan powder
Safety 26-36
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms 1,3-Benzenedisulfonicacid, 4,5-dihydroxy-, disodium salt (9CI);m-Benzenedisulfonic acid, 4,5-dihydroxy-,disodium salt (6CI,8CI);1,2-Dihydroxybenzene-3,5-disulfonic acid disodiumsalt;3,5-Disulfocatechol disodium salt;4,5-Dihydroxy-m-benzenedisulfonic aciddisodium salt;4,5-Dihydroxybenzene-1,3-disulfonic acid disodium salt;Disodium1,2-dihydroxybenzene-3,5-disulfonate;Disodium4,5-dihydroxy-m-benzenedisulfonate;Disodium4,5-dihydroxybenzene-1,3-disulfonate;Disodium catechol-3,5-disulfonate;Disodium pyrocatechol-3,5-disulfonate;SDD;Sodium1,2-dihydroxy-3,5-benzenedisulfonate;Sodium pyrocatechol-3,5-disulfonate;Tiferron;Tiron;WAS-21;
PSA 180.85000
LogP 1.00330

Synthetic route

: 120-80-9
benzene-1,2-diol

: 149-45-1
tiron

Conditions

Conditions	Yield
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

Conditions	Yield
In ethanol; water at 20 - 150℃; for 49h;	97.5%

...Expand

: 66-71-7
1,10-Phenanthroline

: lutetium(III) nitrate hexahydrate

: 149-45-1
tiron

: C42H28Lu2N4O24S6

Conditions

Conditions	Yield
In ethanol; water at 20 - 150℃; for 49h;	94.5%

...Expand

: 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

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

...Expand

: 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

Conditions	Yield
In ethanol; water at 60℃; for 1h;	82.94%

...Expand

: 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

Conditions	Yield
In water for 1h; Reflux;	80%

...Expand

: 66-71-7
1,10-Phenanthroline

: 149-45-1
tiron

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

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

: 66-71-7
1,10-Phenanthroline

: 149-45-1
tiron

: C36H26N4O19S4Sr2(4-)*2C12H8N2*2H2O*4H(1+)

Conditions

Conditions	Yield
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;	70%

: lanthanum(III) chloride

: 7732-18-5
water

: 149-45-1
tiron

: C6H3O8S2(3-)*La(3+)*2H2O

Conditions

Conditions	Yield
at 150℃; for 48h; High pressure;	67%

...Expand

dihydrate: dihydrate

: 3901-07-3
3-(4-methoxy-phenyl)acrylic acid methyl ester

: 96042-30-7
4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

: 149-45-1
tiron

: 7529-22-8
4-methylmorpholine N-oxide

: 106146-94-5
methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate

Conditions

Conditions	Yield
In water; ethyl acetate; tert-butyl alcohol	62%

...Expand

: 7732-18-5
water

: 149-45-1
tiron

: barium(II) chloride

: barium 4,5-dihydroxybenzene-1,3-disulfonate dihydrate

Conditions

Conditions	Yield
at 140℃; for 72h; High pressure;	62%

...Expand

: 553-26-4
4,4'-bipyridine

: cobalt(II) nitrate hexahydrate

: 149-45-1
tiron

: [Co3(tiron-(4,4'-bipyridyl))2(4,4'-bipyridyl)(H2O)8]*(H2O)2

Conditions

Conditions	Yield
Stage #1: 4,4'-bipyridine; cobalt(II) nitrate hexahydrate; tiron In water at 20℃; for 1h; Stage #2: at 140℃; for 72h; Autoclave;	60%

...Expand

: 66-71-7
1,10-Phenanthroline

: 149-45-1
tiron

: 7782-61-8
ferric nitrate

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

Conditions

Conditions	Yield
In water at 20℃; for 1h;	60%

...Expand

: 366-18-7
[2,2]bipyridinyl

: 7732-18-5
water

: 149-45-1
tiron

: 7782-61-8
ferric nitrate

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

Conditions

Conditions	Yield
at 20℃; for 1h;	60%

...Expand

: 66-71-7
1,10-Phenanthroline

: terbium(III) nitrate hexahydrate

: 149-45-1
tiron

: Tb2(4,5-dihydroxy-1,3-benzenedisulfonic acid)3(1,10-phenanthroline)2

Conditions

Conditions	Yield
In water at 120℃; for 36h; Autoclave;	55%

...Expand

: 553-26-4
4,4'-bipyridine

: cadmium(II) nitrate tetrhydrate

: 149-45-1
tiron

: [Cd(tiron)(4,4'-bipyridyl)2(H2O)2]*0.5H2O

Conditions

Conditions	Yield
Stage #1: 4,4'-bipyridine; cadmium(II) nitrate tetrhydrate; tiron In water at 20℃; for 1h; Stage #2: at 140℃; for 72h; Autoclave;	30%

...Expand

: 75-21-8
oxirane

: 149-45-1
tiron

: 4-hydroxy-5-(2-hydroxyethoxy)benzene-1,3-disulfonic acid

Conditions

Conditions	Yield
With calcium chloride at 50℃; for 24h;

: 149-45-1
tiron

: 75-56-9, 16033-71-9
methyloxirane

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

Conditions

Conditions	Yield
With calcium chloride

: 109-97-7
pyrrole

: 149-45-1
tiron

polypyrrole doped with 1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt: polypyrrole doped with 1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt

Conditions

Conditions	Yield
In water Electrochemical reaction;

: 149-45-1
tiron

: 32752-54-8
4-(bromomethyl)benzophenone

: 4,5-bis(4-benzoylphenylmethyleneoxy)benzene-1,3-disulfonic acid disodium salt

Conditions

Conditions	Yield
Stage #1: tiron; 4-(bromomethyl)benzophenone In tetrahydrofuran; methanol; chloroform; water Heating / reflux; Stage #2: With sodium hydroxide In tetrahydrofuran; water for 3h; Heating / reflux; Stage #3: 4-(bromomethyl)benzophenone With sodium hydroxide In tetrahydrofuran; water for 12h; Heating / reflux;

N-methyl morpholine N-oxide: N-methyl morpholine N-oxide

: 3901-07-3
3-(4-methoxy-phenyl)acrylic acid methyl ester

: 149-45-1
tiron

A 3R,2S-Methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate: 3R,2S-Methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate

B: 106146-94-5
methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate

Conditions

Conditions	Yield
In water; ethyl acetate; tert-butyl alcohol

...Expand

: 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium bromide

: 149-45-1
tiron

: 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium, 4,5-dihydroxy-1,3-benzendisulfonic acid salt

Conditions

Conditions	Yield
In ethanol; water at 20℃; for 2.16667h; in the dark;

: 269401-43-6
2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-(phenylthio)-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium chloride

: 149-45-1
tiron

: 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenylthio-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium, 4,5-dihydroxy-1,3-benzenedisulfonic acid salt

Conditions

Conditions	Yield
In methanol; water at 20℃; for 2h; in the dark;

: 149-45-1
tiron

: 7782-61-8
ferric nitrate

: [Fe(tironato)3](9-)

Conditions

Conditions	Yield
In water (Ar); using Schlenk techniques; addn. of 13.0 equiv. of NaOH to soln. ofFe(NO3)3 (0.1 mM) and tiron (0.3 mM) in water; not isolated, monitoring by UV-vis;

: gallium(III)

: 149-45-1
tiron

: gallium(III) tiron 1:1 complex

Conditions

Conditions	Yield
In not given Kinetics; monitored by visible spectra; not isolated;

: 10025-76-0
europium(III) chloride

: 149-45-1
tiron

A: Eu(1,2-dihydroxy(3,5-disulfo)benzene(4-))(1-)

B: Eu(1,2-dihydroxy(3,5-disulfo)benzene(3-))

Conditions

Conditions	Yield
In water under Ar, photospectrometric and potentiometric titration, pH = 8, 25.0°C, 0.1 M KNO3, equilibrium;

...Expand

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.

Product Name

Tiron

Synthetic route

Tiron Consensus Reports

Tiron Specification

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