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Name |
5-Oxazolecarbonitrile,4-methyl- |
EINECS | 213-709-7 |
CAS No. | 1003-52-7 | Density | 1.18 g/cm3 |
PSA | 49.82000 | LogP | 0.85468 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4N2O | Boiling Point | 200.3 °C at 760 mmHg |
Molecular Weight | 108.1 | Flash Point | 75 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methyl-5-cyanooxazole;4-Methyl-5-oxazolecarbonitrile;5-Cyano-4-methyloxazole; |
The 5-Oxazolecarbonitrile,4-methyl- is an organic compound with the formula C5H4N2O. The IUPAC name of this chemical is 4-methyl-1,3-oxazole-5-carbonitrile. With the CAS registry number 1003-52-7, it is also named as Oxazole-5-carbonitrile, 4-methyl-.
Physical properties about 5-Oxazolecarbonitrile,4-methyl- are: (1)ACD/LogP: 0.02; (2)ACD/LogD (pH 5.5): 0.02; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24.33; (7)ACD/KOC (pH 7.4): 24.33; (8)#H bond acceptors: 3; (9)Polar Surface Area: 49.82 Å2; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 26.22 cm3; (12)Molar Volume: 91 cm3; (13)Polarizability: 10.39×10-24cm3; (14)Surface Tension: 50 dyne/cm; (15)Density: 1.18 g/cm3; (16)Flash Point: 75 °C; (17)Enthalpy of Vaporization: 43.65 kJ/mol; (18)Boiling Point: 200.3 °C at 760 mmHg; (19)Vapour Pressure: 0.326 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ocnc1C
(2)InChI: InChI=1/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
(3)InChIKey: JZSLPQXOLZCAME-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
(5)Std. InChIKey: JZSLPQXOLZCAME-UHFFFAOYSA-N