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| CAS No.: | 16870-28-3 |
|---|---|
| Name: | 2-HYDROXY-4-IODOBENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C7H5IO3 |
| Molecular Weight: | 264.019 |
| Synonyms: | Salicylicacid, 4-iodo- (6CI,8CI);2-Hydroxy-4-iodobenzenecarboxylic acid;2-Hydroxy-4-iodobenzoic acid;4-Iodosalicylic acid;NSC 109096; |
| Density: | 2.156 g/cm3 |
| Melting Point: | 230 °C |
| Boiling Point: | 362.569 °C at 760 mmHg |
| Flash Point: | 173.076 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | C:; ">  C:; |
| Safety: | 26-39-45 |
| PSA: | 57.53000 |
| LogP: | 1.69500 |
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Specification
The Benzoic acid,2-hydroxy-4-iodo-, with CAS registry number 16870-28-3, belongs to the following product categories: (1)Benzoic acid; (2)Acids & Esters; (3)Iodine Compounds; (4)Phenols. It has the systematic name of 2-hydroxy-4-iodobenzoic acid. And the chemical formula of this chemical is C7H5IO3.
Physical properties of Benzoic acid,2-hydroxy-4-iodo-: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.89; (8)ACD/KOC (pH 7.4): 1.54; (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: 1.712; (14)Molar Refractivity: 47.97 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 19.01×10-24cm3; (17)Surface Tension: 74.6 dyne/cm; (18)Density: 2.155 g/cm3; (19)Flash Point: 173.1 °C; (20)Enthalpy of Vaporization: 64.21 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 6.84E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(I)cc1O
(2)InChI: InChI=1/C7H5IO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
(3)InChIKey: UQOZVZTUJNRMBV-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H5IO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
(5)Std. InChIKey: UQOZVZTUJNRMBV-UHFFFAOYSA-N