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| CAS No.: | 159448-55-2 |
|---|---|
| Name: | 2-(5-METHYL-2-FURYL)BENZOIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C12H10O3 |
| Molecular Weight: | 202.21 |
| Synonyms: | 2-(5-METHYL-2-FURYL)BENZOIC ACID;AKOS BAR-1830;RARECHEM AL BO 2312;2-(5-Methylfur-2-yl)benzoic acid |
| Density: | 1.215 g/cm3 |
| Boiling Point: | 315.2 °C at 760 mmHg |
| Flash Point: | 144.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 50.44000 |
| LogP: | 2.95320 |
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Specification
The Benzoic acid,2-(5-methyl-2-furanyl)- is an organic compound with the formula C12H10O3. The systematic name of this chemical is 2-(5-Methylfuran-2-yl)benzoic acid. With the CAS registry number 159448-55-2, it is also named as 2-(5-Methyl-2-furyl)benzoic acid. Besides, its molecular weight is 202.21.
Physical properties about Benzoic acid,2-(5-methyl-2-furanyl)- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/BCF (pH 5.5): 1.07; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11.55; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.44 Å2; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 54.89 cm3; (13)Molar Volume: 166.3 cm3; (14)Polarizability: 21.76×10-24 cm3; (15)Surface Tension: 46.5 dyne/cm; (16)Density: 1.215 g/cm3; (17)Flash Point: 144.4 °C; (18)Enthalpy of Vaporization: 58.75 kJ/mol; (19)Boiling Point: 315.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000187 mmHg at 25 °C.
Uses of Benzoic acid,2-(5-methyl-2-furanyl)-: it can be used to produce 2-(5-Methyl-furan-2-yl)-benzoic acid methyl ester. It will need solvent diethyl ether. The yield is about 60%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H10O3/c1-8-6-7-11(15-8)9-4-2-3-5-10(9)12(13)14/h2-7H,1H3,(H,13,14)
(2)InChIKey: NZZBFUOEILKXDN-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C12H10O3/c1-8-6-7-11(15-8)9-4-2-3-5-10(9)12(13)14/h2-7H,1H3,(H,13,14)
(4)Std. InChIKey: NZZBFUOEILKXDN-UHFFFAOYSA-N