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| CAS No.: | 4068-75-1 |
|---|---|
| Name: | METHYL 5-IODOSALICYLATE |
| Article Data: | 22 |
| Molecular Structure: | |
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|
|
| Formula: | C8H7IO3 |
| Molecular Weight: | 278.046 |
| Synonyms: | Salicylic acid,5-iodo-, methyl ester (6CI,8CI);2-Hydroxy-5-iodobenzoic acid methyl ester;5-Iodo-2-hydroxybenzoic acid methyl ester;Methyl 2-hydroxy-5-iodobenzoate;Methyl 5-iodo-2-hydroxybenzoate;Methyl 5-iodosalicylate;NSC 66548; |
| Density: | 1.88 g/cm3 |
| Melting Point: | 73-78 °C |
| Boiling Point: | 310 °C at 760 mmHg |
| Flash Point: | 141.3 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 46.53000 |
| LogP: | 1.78340 |
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Specification
The Benzoic acid,2-hydroxy-5-iodo-, methyl ester is an organic compound with the formula C8H7IO3. The IUPAC name of this chemical is methyl 2-hydroxy-5-iodobenzoate. With the CAS registry number 4068-75-1, it is also named as 2-Hydroxy-5-iodo-benzoic acid methyl ester. The product's categories are Aromatic Esters; Acids & Esters; Iodine Compounds; Phenols. Besides, it is a white crystalline powder, which should be stored in a dark closed and well-ventilated place.
Physical properties about Benzoic acid,2-hydroxy-5-iodo-, methyl ester are: (1)ACD/LogP: 3.74; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 35.53 Å2; (6)Index of Refraction: 1.633; (7)Molar Refractivity: 52.81 cm3; (8)Molar Volume: 147.8 cm3; (9)Polarizability: 20.93×10-24cm3; (10)Surface Tension: 55 dyne/cm; (11)Density: 1.88 g/cm3; (12)Flash Point: 141.3 °C; (13)Enthalpy of Vaporization: 57.28 kJ/mol; (14)Boiling Point: 310 °C at 760 mmHg; (15)Vapour Pressure: 0.000337 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-hydroxy-benzoic acid methyl ester. This reaction will need reagent tetrachloromethane and iodine monochloride.
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Uses of Benzoic acid,2-hydroxy-5-iodo-, methyl ester: it can be used to produce 2-hydroxy-5-trimethylsilanylethynyl-benzoic acid methyl ester at temperature of 20 - 25 °C. It will need reagent bis(triphenylphosphine)palladium(II) chloride, CuI, Et3N with reaction time of 1 hours.
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When you are using this chemical, please be cautious about it as the following:
It is harmful 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.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(I)ccc1O
(2)InChI: InChI=1/C8H7IO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(3)InChIKey: NRSWJTRJHPRZMH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H7IO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(5)Std. InChIKey: NRSWJTRJHPRZMH-UHFFFAOYSA-N