Products Categories
| CAS No.: | 143-74-8 |
|---|---|
| Name: | Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis- |
| Article Data: | 10 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C19H14O5S |
| Molecular Weight: | 354.383 |
| Synonyms: | Phenol,4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide (8CI);3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide;Fenolipuna;NSC10459;PSP;Phenolsulfonephthalein;Sulfonphthal;TF-R 2;a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonicacid g-sultone; |
| EINECS: | 205-609-7 |
| Density: | 1.477 g/cm3 |
| Melting Point: | 300 °C |
| Boiling Point: | 562.8 °C at 760 mmHg |
| Flash Point: | 294.2 °C |
| Solubility: | 0.77 g/L in water |
| Appearance: | dark red powder |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 36/37/38-34 |
| Safety: | 37/39-26-45-36/37/39-27 |
| Transport Information: | N/A |
| PSA: | 92.21000 |
| LogP: | 4.18940 |
| Conditions | Yield |
|---|---|
| for 0.00416667h; Microwave irradiation; | 81.6% |
| at 130 - 135℃; |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 140℃; for 3.5h; Neat (no solvent); | 26% |
| With sulfuric acid at 120℃; |
2-(4-hydroxy-benzoyl)-benzenesulfonic acid
phenol red
| Conditions | Yield |
|---|---|
| at 135℃; | |
| With phenol at 135℃; |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 140℃; |
| Conditions | Yield |
|---|---|
| at 135 - 140℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 135 - 140 °C 2: phenol / 135 °C View Scheme |
| Conditions | Yield |
|---|---|
| With perchloric acid; dihydrogen peroxide; C14H9BrN2O4V(1-); potassium bromide In water at 0 - 24℃; for 0.666667h; Catalytic behavior; Reagent/catalyst; Temperature; | 89% |
| With C12H8N2*C13H11N3O3(2-)*OV(2+); dihydrogen peroxide; potassium bromide In water Kinetics; Concentration; aq. phosphate buffer; | |
| With [V(1,3-benzenedicarboxyliate)(2,6-pyridinedicarboxylate)(H2O)2]; potassium bromide In water; N,N-dimethyl-formamide at 30℃; pH=5.8; Kinetics; Reagent/catalyst; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In N,N-dimethyl-formamide at 150℃; for 24h; | 15% |
| Conditions | Yield |
|---|---|
| at 180℃; |
| Conditions | Yield |
|---|---|
| at 180℃; |
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The IUPAC name of Phenolsulfonphthalein is 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol. With the CAS registry number 143-74-8, it is also named as 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)diphenol S,S-dioxide. The product's categories are analytical chemistry; indicator (pH); stains and dyes; general stains / dyes for stem cell biologystains and dyes; cell culture; cell viability and proliferation; stains, dyes and indicators; stem cell characterization. It is dark red powder that the solubility is 0.77 grams per liter (g/L) in water, 2.9 g/L in ethanol, and almost insoluble in ether and chloroform.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 116.16; (6)ACD/BCF (pH 7.4): 113.4; (7)ACD/KOC (pH 5.5): 1046.52; (8)ACD/KOC (pH 7.4): 1021.65; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 92.38 cm3; (14)Molar Volume: 239.7 cm3; (15)Polarizability: 36.62×10-24 cm3; (16)Surface Tension: 69.2 dyne/cm; (17)Enthalpy of Vaporization: 87.75 kJ/mol; (18)Vapour Pressure: 2.84E-13 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 3; (21)Exact Mass: 354.056194; (22)MonoIsotopic Mass: 354.056194; (23)Topological Polar Surface Area: 92.2; (24)Heavy Atom Count: 25.
Preparation of Phenolsulfonphthalein: Heating and melting the o-sulfonic acid anhydride and phenol, then adding anhydrous zinc chloride at 135-140 °C to react 7h, and then put the condensate into the hot water, filtering, washing the solid with water, and further purified by acid-base precipitation to get the product.
Uses of Phenolsulfonphthalein: It acts as a pH indicator that is frequently used in cell biology laboratories, changing from yellow to red between the pH 6.8-8.4. And it is also used in the phenolsulfonphthalein test which is used to estimate the overall blood flow through the kidney and is now obsolete. Sometimes labelled with a different name, it is used as a pH indicator in home swimming pool test kits.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: O=S2(=O)OC(c1ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4;
2. InChI: InChI=1/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H.
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 1368mg/kg (1368mg/kg) | Drugs in Japan Vol. -, Pg. 930, 1990. | |
| rat | LD50 | intravenous | 752mg/kg (752mg/kg) | Drugs in Japan Vol. -, Pg. 930, 1990. | |
| rat | LD50 | subcutaneous | > 600mg/kg (600mg/kg) | Clinical Toxicology. Vol. 4(2), Pg. 185, 1971. |
