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Benzoic acid, 2-hydroxy-4-iodo-, methyl ester

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Name

Benzoic acid, 2-hydroxy-4-iodo-, methyl ester

EINECS N/A
CAS No. 18179-39-0 Density 1.88 g/cm3
PSA 46.53000 LogP 1.78340
Solubility N/A Melting Point 69-73 °C
Formula C8H7IO3 Boiling Point 309.7 °C at 760 mmHg
Molecular Weight 278.046 Flash Point 141.1 °C
Transport Information UN 2811 Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 18179-39-0 (METHYL 4-IODOSALICYLATE) Hazard Symbols ToxicT
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;

Article Data 12

Benzoic acid, 2-hydroxy-4-iodo-, methyl ester 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

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