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3-Hydroxy-2,4,6-triiodobenzoic acid

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Name

3-Hydroxy-2,4,6-triiodobenzoic acid

EINECS 258-457-9
CAS No. 53279-72-4 Density 3.095 g/cm3
Solubility Melting Point 211-215 °C
Formula C7H3I3O3 Boiling Point 389.2 °C at 760 mmHg
Molecular Weight 515.81 Flash Point 189.2 °C
Transport Information Appearance
Safety 22-26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 53279-72-4 (Benzoic acid,3-hydroxy-2,4,6-triiodo-) Hazard Symbols IrritantXi
Synonyms

2,4,6-Triiodo-3-hydroxybenzoicacid;NSC 82352;

 

3-Hydroxy-2,4,6-triiodobenzoic acid Specification

The Benzoic acid,3-hydroxy-2,4,6-triiodo- is an organic compound with the formula C7H3I3O3. The systematic name of this chemical is 3-hydroxy-2,4,6-triiodobenzoic acid. With the CAS registry number 53279-72-4, it is also named as 2,4,6-Triiodo-3-hydroxybenzoic acid. The product's categories are Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids;Phenyls & Phenyl-Het. Besides, it should be stored in a closed place at temperature of -20 °C.

Physical properties about Benzoic acid,3-hydroxy-2,4,6-triiodo- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): -1.31; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.839; (14)Molar Refractivity: 73.78 cm3; (15)Molar Volume: 166.6 cm3; (16)Polarizability: 29.25×10-24cm3; (17)Surface Tension: 88.6 dyne/cm; (18)Density: 3.095 g/cm3; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 67.34 kJ/mol; (21)Boiling Point: 389.2 °C at 760 mmHg; (22)Vapour Pressure: 9.38E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(c(I)c(O)c(I)c1)C(=O)O
(2)InChI: InChI=1/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)
(3)InChIKey: GIAVHGFPMPSIFI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)
(5)Std. InChIKey: GIAVHGFPMPSIFI-UHFFFAOYSA-N

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