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Name |
Benzoic acid,4-hydroxy-3,5-diiodo-, methyl ester |
EINECS | N/A |
CAS No. | 3337-66-4 | Density | 2.377 g/cm3 |
PSA | 46.53000 | LogP | 2.38800 |
Solubility | N/A | Melting Point |
167-168 °C |
Formula | C8H6I2O3 | Boiling Point | 328.257 °C at 760 mmHg |
Molecular Weight | 403.943 | Flash Point | 152.325 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,5-Diiodo-4-hydroxybenzoicacid methyl ester;Methyl 4-hydroxy-3,5-diiodobenzoate; |
Article Data | 18 |
The Benzoic acid,4-hydroxy-3,5-diiodo-, methyl ester, with the CAS registry number 3337-66-4, is also known as 3,5-Diiodo-4-hydroxybenzoicacid methyl ester. This chemical's molecular formula is C8H6I2O3 and molecular weight is 403.94. What's more, its systematic name is Methyl 4-hydroxy-3,5-diiodobenzoate.
Physical properties of Benzoic acid,4-hydroxy-3,5-diiodo-, methyl ester are: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 262; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 1523; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 65.721 cm3; (15)Molar Volume: 169.902 cm3; (16)Polarizability: 26.054×10-24 cm3; (17)Surface Tension: 62.835 dyne/cm; (18)Density: 2.377 g/cm3; (19)Flash Point: 152.325 °C; (20)Enthalpy of Vaporization: 59.329 kJ/mol; (21)Boiling Point: 328.257 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(I)c1O)C(=O)OC
(2)InChI: InChI=1/C8H6I2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
(3)InChIKey: MBNGCRHTBSWFLS-UHFFFAOYSA-N