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| Name |
3-Furancarbonitrile,2-amino-4,5-dimethyl- |
EINECS | N/A |
| CAS No. | 5117-88-4 | Density | 1.15 g/cm3 |
| PSA | 62.95000 | LogP | 1.93148 |
| Solubility | N/A | Melting Point |
163-169 °C(lit.) |
| Formula | C7H8N2O | Boiling Point | 287.8 °C at 760 mmHg |
| Molecular Weight | 136.153 | Flash Point | 127.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36 | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
3-Furonitrile,2-amino-4,5-dimethyl- (7CI,8CI);2-Amino-3-cyano-4,5-dimethylfuran;2-Amino-4,5-dimethyl-3-furonitrile;2-Amino-4,5-dimethylfuran-3-carbonitrile;NSC 153310;NSC 686264; |
3-Furancarbonitrile,2-amino-4,5-dimethyl- Specification
The CAS register number of 3-Furancarbonitrile,2-amino-4,5-dimethyl- is 5117-88-4. It also can be called as 2-Amino-3-cyano-4,5-dimethylfuran and the systematic name about this chemical is 2-amino-4,5-dimethylfuran-3-carbonitrile. The molecular formula about this chemical is C7H8N2O and the molecular weight is 136.15. It belongs to the following product categories which include Furans, Benzofurans & Dihydrobenzofurans; Furans, Benzofurans & Dihydrobenzofurans; Building Blocks; Furans; Heterocyclic Building Blocks and so on.
Physical properties about 3-Furancarbonitrile,2-amino-4,5-dimethyl- are: (1)ACD/LogP: 1.48; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 40.17 Å2; (6)Index of Refraction: 1.535; (7)Molar Refractivity: 36.66 cm3; (8)Molar Volume: 117.7 cm3; (9)Polarizability: 14.53x10-24cm3; (10)Surface Tension: 49.7 dyne/cm; (11)Density: 1.15 g/cm3; (12)Flash Point: 127.8 °C; (13)Enthalpy of Vaporization: 52.7 kJ/mol; (14)Boiling Point: 287.8 °C at 760 mmHg; (15)Vapour Pressure: 0.00244 mmHg at 25 °C.
Uses of 3-Furancarbonitrile,2-amino-4,5-dimethyl-: it can be used to produce 5-hydroxy-4,5-dimethyl-2-oxo-2,5-dihydro-pyrrole-3-carbonitrile. This reaction will need reagent of O2 and solvent of methanol. This reaction needs irradiation. The yield is about 20%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It may cause damage to health and inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. If you want to store this chemical, keep the container sealed in dry and cool places. It should avoid strong oxidizer.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(c(oc1N)C)C
(2)InChI: InChI=1/C7H8N2O/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
(3)InChIKey: ACHDPRAJHGRGDC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H8N2O/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
(5)Std. InChIKey: ACHDPRAJHGRGDC-UHFFFAOYSA-N
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