CAS No.7182-21-0,3-Methyl-5-Benzofuranol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7182-21-0
Name:	3-Methyl-5-Benzofuranol
Article Data:	15

Formula:	C₉H₈O₂
Molecular Weight:	148.161
Synonyms:	3-Methyl-5-benzofuranol;3-Methyl-5-hydroxybenzofuran;5-Hydroxy-3-methylbenzofuran;
Density:	1.223 g/cm³
Melting Point:	92 °C
Boiling Point:	272.7 °C at 760 mmHg
Flash Point:	118.7 °C
PSA:	33.37000
LogP:	2.44680

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Specification

This chemical is called 5-Benzofuranol, 3-methyl-, and its systematic name is 3-methyl-1-benzofuran-5-ol. With the molecular formula of C₉H₈O₂, its molecular weight is 148.16. The CAS registry number of this chemical is 7182-21-0.

Other characteristics of the 5-Benzofuranol, 3-methyl- can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.83; (6)ACD/BCF (pH 7.4): 38.5; (7)ACD/KOC (pH 5.5): 477.7; (8)ACD/KOC (pH 7.4): 473.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.37 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 43.1 cm³; (15)Molar Volume: 121 cm³; (16)Polarizability: 17.08×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.223 g/cm³; (19)Flash Point: 118.7 °C; (20)Enthalpy of Vaporization: 53.15 kJ/mol; (21)Boiling Point: 272.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0036 mmHg at 25°C.

Production method of this chemical: The 5-Benzofuranol, 3-methyl- could be obtained by the reactant of 2,3-Dihydro-2-morpholino-3-[(trimethylsilyl)methyl]benzofuran-5-ol. This reaction needs the reagent of 15percent HCl, and the solvent of H₂O. The yield is 50 %. In addition, this reaction should be taken for 15 minutes. The other condition is heating.

The 5-Benzofuranol, 3-methyl- could be obtained by the reactant of 2,3-Dihydro-2-morpholino-3-[(trimethylsilyl)methyl]benzofuran-5-ol

Uses of this chemical: The 3-methylbenzofuran-4,5-dione could be obtained by the 5-Benzofuranol, 3-methyl-. This reaction needs the reagent of Fremy's salt, and the solvent of methanol, various solvent(s). The yield is 98 %. In addition, this reaction should be taken for 1 hours at the temperature of 0 °C. The other condition is pH=7.

The 3-methylbenzofuran-4,5-dione could be obtained by the 5-Benzofuranol, 3-methyl-

You can still convert the following datas into molecular structure:
1.SMILES: Oc1cc2c(cc1)occ2C
2.InChI: InChI=1/C9H8O2/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,10H,1H3
3.InChIKey: CFWUXOWTWHWMSB-UHFFFAOYAK