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

Name
METHYL 4-IODOSALICYLATE
EINECS
CAS No. 18179-39-0
Article Data12
CAS DataBase
Density 1.88 g/cm³
Solubility
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
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
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;
PSA 46.53000
LogP 1.78340

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

Product Name

METHYL 4-IODOSALICYLATE

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

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