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| CAS No.: | 18179-39-0 |
|---|---|
| Name: | METHYL 4-IODOSALICYLATE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H7IO3 |
| Molecular Weight: | 278.046 |
| Synonyms: | Salicylicacid, 4-iodo-, methyl ester (8CI);Methyl 2-hydroxy-4-iodobenzoate;Methyl 4-iodo-2-hydroxybenzoate;Methyl4-iodosalicylate;2-Hydroxy-4-iodobenzoic acid methyl ester; |
| Density: | 1.88 g/cm3 |
| Melting Point: | 69-73 °C |
| Boiling Point: | 309.7 °C at 760 mmHg |
| Flash Point: | 141.1 °C |
| Hazard Symbols: |
 T
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| Risk Codes: | 25 |
| Safety: | 45 |
| Transport Information: | UN 2811 |
| PSA: | 46.53000 |
| LogP: | 1.78340 |
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Specification
This chemical is called Benzoic acid, 2-hydroxy-4-iodo-, methyl ester, and its systematic name is methyl 2-hydroxy-4-iodobenzoate. With the molecular formula of C8H7IO3, its molecular weight is 278.12. The CAS registry number of this chemical is 18179-39-0.
Other characteristics of the Benzoic acid, 2-hydroxy-4-iodo-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 497.58; (6)ACD/BCF (pH 7.4): 482.72; (7)ACD/KOC (pH 5.5): 2964.64; (8)ACD/KOC (pH 7.4): 2876.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 52.81 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 20.93×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.88 g/cm3; (19)Flash Point: 141.1 °C; (20)Enthalpy of Vaporization: 57.24 kJ/mol; (21)Boiling Point: 309.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000344 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ccc(I)cc1O
2.InChI: InChI=1/C8H7IO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
3.InChIKey: WUFUURSWOJROKY-UHFFFAOYAD