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| CAS No.: | 19679-75-5 |
|---|---|
| Name: | 2-methyltetrahydrofuran-2-carbonitrile |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H9NO |
| Molecular Weight: | 111.144 |
| Synonyms: | 2-Furonitrile,tetrahydro-2-methyl- (8CI);2-Methyltetrahydrofuran-2-carbonitrile; |
| EINECS: | 243-222-5 |
| Density: | 1.01 g/cm3 |
| Boiling Point: | 199.8 °C at 760 mmHg |
| Flash Point: | 80.7 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 33.02000 |
| LogP: | 1.07908 |
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Specification
The 2-Furancarbonitrile, tetrahydro-2-methyl-, with the CAS registry number 19679-75-5, is also known as 2-Methyltetrahydrofuran-2-carbonitrile. Its EINECS registry number is 243-222-5. This chemical's molecular formula is C6H9NO and molecular weight is 111.14176. What's more, its IUPAC name is 2-Methyloxolane-2-carbonitrile.
Physical properties about 2-Furancarbonitrile, tetrahydro-2-methyl- are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.9; (8)ACD/KOC (pH 7.4): 17.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 29.46 cm3; (15)Molar Volume: 109.6 cm3; (16)Polarizability: 11.68×10-24 cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 80.7 °C; (20)Enthalpy of Vaporization: 43.6 kJ/mol; (21)Boiling Point: 199.8 °C at 760 mmHg; (22)Vapour Pressure: 0.335 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC1(OCCC1)C
(2) InChI: InChI=1/C6H9NO/c1-6(5-7)3-2-4-8-6/h2-4H2,1H3
(3) InChIKey: ANKPAVMLGPOZOZ-UHFFFAOYAK