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| CAS No.: | 61394-50-1 |
|---|---|
| Name: | 5-CYANOOXINDOLE |
| Molecular Structure: | |
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| Formula: | C9H6N2O |
| Molecular Weight: | 158.159 |
| Synonyms: | 2-Oxoindoline-5-carbonitrile;5-Cyano-1,3-dihydroindol-2-one;5-Cyanoindolin-2-one;5-Cyanoox-2-indole;5-Cyanooxindole; |
| Density: | 1.33g/cm3 |
| Melting Point: | 236-239°C |
| Boiling Point: | 389.677 °C at 760 mmHg |
| Flash Point: | 189.47 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 52.89000 |
| LogP: | 1.19088 |
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Specification
The 5-Cyanooxindole, with CAS registry number 61394-50-1, belongs to the following product categories: (1)Blocks; (2)Indoles Oxindoles; (3)API intermediates. It has the systematic name of 2-oxoindoline-5-carbonitrile. And the chemical formula of this chemical is C9H6N2O.
Physical properties of 5-Cyanooxindole: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.153; (4)ACD/LogD (pH 7.4): 1.153; (5)ACD/BCF (pH 5.5): 4.426; (6)ACD/BCF (pH 7.4): 4.426; (7)ACD/KOC (pH 5.5): 100.931; (8)ACD/KOC (pH 7.4): 100.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.89 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 42.295 cm3; (15)Molar Volume: 118.449 cm3; (16)Polarizability: 16.767×10-24cm3; (17)Surface Tension: 62.863 dyne/cm; (18)Density: 1.335 g/cm3; (19)Flash Point: 189.47 °C; (20)Enthalpy of Vaporization: 63.905 kJ/mol; (21)Boiling Point: 389.677 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Cyanooxindole irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1C#N)CC(=O)N2
(2)InChI: InChI=1/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12)
(3)InChIKey: NZOSLRYUVHMXTQ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12)
(5)Std. InChIKey: NZOSLRYUVHMXTQ-UHFFFAOYSA-N