CAS No.19403-92-0,2,4,6-Triiodoresorcinol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19403-92-0
Name:	2,4,6-Triiodoresorcinol
Article Data:	19

Formula:	C₆H₃I₃O₂
Molecular Weight:	487.802
Synonyms:	Resorcinol,2,4,6-triiodo- (6CI,7CI,8CI);2,4,6-Triiodoresorcinol;Riodoxol;
Density:	3.198 g/cm³
Melting Point:	144 °C
Boiling Point:	267.3 °C at 760 mmHg
Flash Point:	115.5 °C
PSA:	40.46000
LogP:	2.91160

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Specification

The 2,4,6-Triiodoresorcinol is an organic compound with the formula C₆H₃I₃O₂. The systematic name of this chemical is 2,4,6-triiodobenzene-1,3-diol. With the CAS registry number 19403-92-0, it is also named as 1,3-benzenediol, 2,4,6-triiodo-.

Physical properties about 2,4,6-Triiodoresorcinol are: (1)ACD/LogP: 3.82; (2)ACD/LogD (pH 5.5): 3.69; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 351.66; (5)ACD/BCF (pH 7.4): 9.39; (6)ACD/KOC (pH 5.5): 2123.64; (7)ACD/KOC (pH 7.4): 56.69; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.86; (13)Molar Refractivity: 68.73 cm³; (14)Molar Volume: 152.5 cm³; (15)Polarizability: 27.24×10^-24cm³; (16)Surface Tension: 85.7 dyne/cm; (17)Density: 3.198 g/cm³; (18)Flash Point: 115.5 °C; (19)Enthalpy of Vaporization: 52.57 kJ/mol; (20)Boiling Point: 267.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00497 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(O)c(I)cc(I)c1O
(2)InChI: InChI=1/C6H3I3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
(3)InChIKey: XKFZYVWWXHCHIX-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H3I3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
(5)Std. InChIKey: XKFZYVWWXHCHIX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	4578mg/kg (4578mg/kg)		Drugs of the Future. Vol. 10, Pg. 35, 1985.
rat	LD50	oral	8200mg/kg (8200mg/kg)		Drugs of the Future. Vol. 10, Pg. 35, 1985.