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Bromopyrogallol Red

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Name

Bromopyrogallol Red

EINECS 240-632-6
CAS No. 16574-43-9 Density 2.399 g/cm3
PSA 141.90000 LogP 5.23130
Solubility slightly soluble in water Melting Point 300 °C
Formula C19H10Br2O8S Boiling Point 681.206 °C at 760 mmHg
Molecular Weight 558.15 Flash Point 365.781 °C
Transport Information N/A Appearance green to dark brown crystalline powder
Safety 24/25-22-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 16574-43-9 (Bromopyrogallol Red) Hazard Symbols HarmfulXn
Synonyms

Bromopyrogallolred (6CI,7CI);Spiro[3H-2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol,2',7'-dibromo-, 1,1-dioxide (8CI);NSC 315537;Pyrogallolbromine red;

 

Bromopyrogallol Red Specification

The Bromopyrogallol Red with cas registry number of 16574-43-9, belongs to the following product categories: (1)Analytical Chemistry; (2)Bipyridyls, etc. (Chelating Reagents); (3)Chelating Reagents. It has the systematic name of 2',7'-dibromospiro[2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol 1,1-dioxide.

Physical properties about this chemical are: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.6; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 1736.72; (6)ACD/BCF (pH 7.4): 19.15; (7)ACD/KOC (pH 5.5): 6684.06; (8)ACD/KOC (pH 7.4): 73.71; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 97.9 Å2; (13)Index of Refraction: 1.928; (14)Molar Refractivity: 110.56 cm3; (15)Molar Volume: 232.6 cm3; (16)Polarizability: 43.83×10-24cm3; (17)Surface Tension: 144.5 dyne/cm; (18)Enthalpy of Vaporization: 103.54 kJ/mol; (19)Vapour Pressure: 3.5E-19 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Bromopyrogallol Red irritates to eyes, respiratory system and skin. So avoid contact with skin and eyes.When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, Bromopyrogallol Red is also harmful by inhalation and if swallowed. So avoid to breathe dust.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc5c(O)c(O)c4Oc1c(O)c(O)c(Br)cc1C3(OS(=O)(=O)c2ccccc23)c4c5;
(2)InChI: InChI=1/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H;
(3)InChIKey: QFXYYBXMARTXHI-UHFFFAOYAJ;
(4)Std. InChI: InChI=1S/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H;
(5)Std. InChIKey: QFXYYBXMARTXHI-UHFFFAOYSA-N

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