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| CAS No.: | 1191-99-7 |
|---|---|
| Name: | 2,3-Dihydrofuran |
| Article Data: | 73 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H6O |
| Molecular Weight: | 70.091 |
| Synonyms: | 4,5-Dihydrofuran;NSC 85221; |
| EINECS: | 214-747-7 |
| Density: | 0.959 g/cm3 |
| Melting Point: | 280 °C(Solv: trichloroethylene (79-01-6); ethanol (64-17-5)) |
| Boiling Point: | 54.5 °C at 760 mmHg |
| Flash Point: | -24 °C |
| Solubility: | slightly soluble in water |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F, Xi, Xn
|
| Risk Codes: | 11-19-36-22 |
| Safety: | 16-33-39-26-18-36 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 9.23000 |
| LogP: | 0.92040 |
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Specification
The IUPAC name of this chemical is 2,3-dihydrofuran. With the CAS registry number 1191-99-7 and EINECS 214-747-7, it is also named as Furan, 2,3-dihydro-. The product's category is Intermediate of Etodolac. It is clear colourless liquid which is slightly soluble in water. Additionally, this chemical should be sealed in the container with the tempetature of 2-8 °C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 45.9; (8)ACD/KOC (pH 7.4): 45.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 19.65 cm3; (14)Molar Volume: 73 cm3; (15)Polarizability: 7.79×10-24 cm3; (16)Surface Tension: 33.8 dyne/cm; (17)Enthalpy of Vaporization: 28.52 kJ/mol; (18)Vapour Pressure: 258 mmHg at 25°C; (19)Exact Mass: 70.041865; (20)MonoIsotopic Mass: 70.041865; (21)Topological Polar Surface Area: 9.2; (22)Heavy Atom Count: 5; (23)Complexity: 47.6.
Uses of 2,3-Dihydrofuran: It is used as pharmaceutical intermediate. It is also used in electronic chemicals and perfume. In addition, it can react with pyrrolidine to get 2-pyrrolidinotetrahydrofuran. This reaction needs catalytic agent K2Pd(SCN)4 at temperature of 80 °C. The reaction time is 16 hours. The yield is 83%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable and may form explosive peroxides, so people should keep it away from sources of ignition. What's more, this chmeical is not only harmful if swallowed, but also irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O1\C=C/CC1
2. InChI:InChI=1/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2
3. InChIKey:JKTCBAGSMQIFNL-UHFFFAOYAF