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| CAS No.: | 149-45-1 |
|---|---|
| Name: | Tiron |
| Molecular Structure: | |
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| 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: | 2.064g/cm3 at 20℃ |
| Melting Point: | 300 °C |
| Solubility: | soluble |
| Appearance: | light tan powder |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 26-36 |
| PSA: | 180.85000 |
| LogP: | 1.00330 |
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| 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; |
| Conditions | Yield |
|---|---|
| In ethanol; water at 20 - 150℃; for 49h; | 97.5% |
| Conditions | Yield |
|---|---|
| In ethanol; water at 20 - 150℃; for 49h; | 94.5% |
| Conditions | Yield |
|---|---|
| In water for 1h; Reflux; | 85% |
| Conditions | Yield |
|---|---|
| In ethanol; water at 60℃; for 1h; | 82.94% |
| 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% |
| 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
| 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% |
| 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.
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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. |