CAS No.149-45-1,1,3-Benzenedisulfonicacid, 4,5-dihydroxy-, sodium salt (1:2) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	149-45-1
Name:	1,3-Benzenedisulfonicacid, 4,5-dihydroxy-, sodium salt (1:2)
Article Data:	2
Cas Database

Formula:	C₆H₄Na₂O₈S₂
Molecular Weight:	314.204
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;
EINECS:	205-741-5
Density:	N/A
Melting Point:	300 °C
Boiling Point:	N/A
Flash Point:	N/A
Solubility:	soluble
Appearance:	light tan powder
Hazard Symbols:	R36/37/38:;
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
Safety:	26-36
Transport Information:	N/A
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%

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Consensus Reports

Reported in EPA TSCA Inventory.

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.