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7-Methoxybenzofuran

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Name

7-Methoxybenzofuran

EINECS N/A
CAS No. 7168-85-6 Density 1.136 g/cm3
PSA 22.37000 LogP 2.44140
Solubility N/A Melting Point N/A
Formula C9H8O2 Boiling Point 218.9 °C at 760 mmHg
Molecular Weight 148.161 Flash Point 99.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7168-85-6 (7-Methoxybenzofuran) Hazard Symbols IrritantXi
Synonyms

7-Methoxy-1-benzofuran;7-Methoxybenzofuran;

 

7-Methoxybenzofuran Specification

This chemical is called 7-Methoxybenzofuran, and it can also be named as Benzofuran, 7-methoxy-. With the molecular formula of C9H8O2, its molecular weight is 148.16. The CAS registry number of this chemical is 7168-85-6.

Other characteristics of the 7-Methoxybenzofuran can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 45.59; (6)ACD/BCF (pH 7.4): 45.59; (7)ACD/KOC (pH 5.5): 535.85; (8)ACD/KOC (pH 7.4): 535.85; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.37 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 43.07 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 17.07×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 99.1 °C; (20)Enthalpy of Vaporization: 43.68 kJ/mol; (21)Boiling Point: 218.9 °C at 760 mmHg; (22)Vapour Pressure: 0.181 mmHg at 25°C.

Production method of this chemical: The 7-Methoxybenzofuran could be obtained by the reactant of 7-methoxy-benzofuran-2-carboxylic acid. This reaction needs the reagent of Cu, and the solvent of quinoline. The yield is  90 %. In addition, the other condition is heating.

Uses of this chemical: The benzofuran-7-ol could be obtained by the reactant of 7-Methoxybenzofuran. This reaction needs the reagent of pyridine hydrochloride. The yield is 50 %. This reaction should be taken for 2.5 hours at the temperature of 200 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O(c2cccc1c2occ1)C
2.InChI: InChI=1/C9H8O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6H,1H3
3.InChIKey: QPLLPLLBBSWRTM-UHFFFAOYAB

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