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| CAS No.: | 6947-94-0 |
|---|---|
| Name: | 2-METHYL-3-FUROIC ACID |
| Article Data: | 23 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6O3 |
| Molecular Weight: | 126.112 |
| Synonyms: | 3-Furoicacid, 2-methyl- (6CI,7CI,8CI);2-Methyl-3-furancarboxylic acid;2-Methyl-3-furoic acid;NSC 55881; |
| EINECS: | -0 |
| Density: | 1.248 g/cm3 |
| Melting Point: | 102-105 °C |
| Boiling Point: | 231.5 °C at 760 mmHg |
| Flash Point: | 93.8 °C |
| Appearance: | light brown crystalline needles and chunks |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-26 |
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- Total:35 Page 1 of 1 1
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Specification
The CAS register number of 3-Furancarboxylic acid,2-methyl- is 6947-94-0. It also can be called as 2-Methyl-3-furoic acid and the IUPAC name about this chemical is 2-methylfuran-3-carboxylic acid. The molecular formula about this chemical is C6H6O3 and the molecular weight is 126.11.
Physical properties about 3-Furancarboxylic acid,2-methyl- are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 10.68; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.44Å2; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 30.3 cm3; (13)Molar Volume: 101 cm3; (14)Polarizability: 12.01x10-24cm3; (15)Surface Tension: 44.5 dyne/cm; (16)Enthalpy of Vaporization: 49.48 kJ/mol; (17)Boiling Point: 231.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0347 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-furan-3-carboxylic acid ethyl ester. This reaction will need reagent aq. NaOH.
Uses of 3-Furancarboxylic acid,2-methyl-: it can be used to produce 2-methyl-furan-3-carbonyl chloride. This reaction will need reagent thionyl chloride.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and 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(O)c1c(occ1)C
(2)InChI: InChI=1/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
(3)InChIKey: CFGQZVOVFIZRMN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
(5)Std. InChIKey: CFGQZVOVFIZRMN-UHFFFAOYSA-N