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Name |
Methyl 3-methyl-2-benzofurancarboxylate |
EINECS | 218-198-4 |
CAS No. | 2076-36-0 | Density | 1.184 g/cm3 |
PSA | 39.44000 | LogP | 2.52780 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10O3 | Boiling Point | 274.6 °C at 760 mmHg |
Molecular Weight | 190.199 | Flash Point | 119.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methylbenzofuran-2-carboxylicacid methyl ester;Methyl 3-methyl-2-benzofurancarboxylate; |
Article Data | 15 |
The CAS register number of Methyl 3-methyl-2-benzofurancarboxylate is 2076-36-0. It also can be called as 3-Methylbenzofuran-2-carboxylic acid methyl ester and the IUPAC name about this chemical is methyl 3-methyl-1-benzofuran-2-carboxylate. The molecular formula about this chemical is C11H10O3 and molecular weight is 190.19.
Physical properties about Methyl 3-methyl-2-benzofurancarboxylate are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 108.86; (5)ACD/BCF (pH 7.4): 108.86; (6)ACD/KOC (pH 5.5): 999.11; (7)ACD/KOC (pH 7.4): 999.11; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.44Å2; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 52.99 cm3; (13)Molar Volume: 160.5 cm3; (14)Polarizability: 21x10-24cm3; (15)Surface Tension: 41.5 dyne/cm; (16)Enthalpy of Vaporization: 51.3 kJ/mol; (17)Boiling Point: 274.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00535 mmHg at 25°C.
Preparation: this chemical can be prepared by diazomethane and 3-methyl-benzofuran-2-carboxylic acid. This reaction will need reagent diethyl ether.
Uses of Methyl 3-methyl-2-benzofurancarboxylate: it can be used to produce (3-methyl-benzofuran-2-yl)-methanol at temperature of 0 ℃. This reaction will need reagent DIBAL-H and solvent tetrahydrofuran, hexane with reaction time of 1 hours.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2oc1ccccc1c2C
(2)InChI: InChI=1/C11H10O3/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3
(3)InChIKey: HVUOTQOUAMXGLR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H10O3/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3
(5)Std. InChIKey: HVUOTQOUAMXGLR-UHFFFAOYSA-N