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Pyrogallol sulfonphthalein

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Name

Pyrogallol sulfonphthalein

EINECS 251-134-3
CAS No. 32638-88-3 Density 1.082 g/mL at 20 °C
Solubility Melting Point 133-134 °C(lit.)
Formula C19H12O8S Boiling Point 686.1 °C at 760 mmHg
Molecular Weight 400.3588 Flash Point 368.8 °C
Transport Information UN 2811 6.1/PG 3 Appearance dark brown powder
Safety 36/37-61 Risk Codes 20/21/22-52/53-68
Molecular Structure Molecular Structure of 32638-88-3 (Pyrogallol sulfonphthalein) Hazard Symbols HarmfulXn
Synonyms

Pyrogallol red;3172-49-4;Pyrogallolsulfonephthalein;Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]- 3',4',5',6'-tetrol,1,1-dioxide;yl)-;2-(4,5,6-trihydroxy-3-oxo-xanthen-9-yl)benzenesulfonate;Benzenesulfonic acid, 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-;Spiro(3H-2,1-benzoxathiole-3,9-(9H)xanthene)-3,4,5,6-tetrol, 1,1-dioxide;

 

Pyrogallol sulfonphthalein Specification

The Pyrogallol sulfonphthalein, with the CAS registry number 32638-88-3, is also known as 12,13,14,15-Tetrahydroxyspiro[benzo[c]1,2-oxathiolane-3,9'-xanthene]-1,1-dione. It belongs to the product categories of Analytical Chemistry; Bipyridyls, etc. (Chelating Reagents); Chelating Reagents. Its EINECS registry number is 251-134-3. This chemical's molecular formula is C19H12O8S and molecular weight is 400.3588. Its systematic name is called spiro[2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol 1,1-dioxide. This chemical's classification code is Coloring Agents. It is dark brown powder.

Physical properties of Pyrogallol sulfonphthalein: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 12.36; (5)ACD/BCF (pH 7.4): 7.33; (6)ACD/KOC (pH 5.5): 210.04; (7)ACD/KOC (pH 7.4): 124.56; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.883; (12)Molar Refractivity: 95.12 cm3; (13)Molar Volume: 207.2 cm3; (14)Surface Tension: 133.6 dyne/cm; (15)Density: 1.93 g/cm3; (16)Flash Point: 368.8 °C; (17)Enthalpy of Vaporization: 104.22 kJ/mol; (18)Boiling Point: 686.1 °C at 760 mmHg; (19)Vapour Pressure: 1.86E-19 mmHg at 25°C.

Preparation of Pyrogallol sulfonphthalein: this chemical can be prepared by 1,1-dioxo-1H-1λ6-benzo[c][1,2]oxathiol-3-one and benzene-1,2,3-triol. This reaction will need solvent xylene. The reaction time is 15 s. The yield is about 77%.

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 and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S5(=O)OC2(c3c(Oc1c(O)c(O)ccc12)c(O)c(O)cc3)c4ccccc45
(2)InChI: InChI=1/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H
(3)InChIKey: KUQNCHZOCSYKOR-UHFFFAOYAL

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