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Cas Database |
| Name |
Benzonitrile,2,4,6-trimethyl-, N-oxide |
EINECS | N/A |
| CAS No. | 2904-57-6 | Density | 0.98 g/cm3 |
| PSA | 30.67000 | LogP | 2.51698 |
| Solubility | N/A | Melting Point |
113-114℃ (methanol ) |
| Formula | C10H11NO | Boiling Point | 287.51°C (rough estimate) |
| Molecular Weight | 161.203 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37 | Risk Codes | 20/21/22-36 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
2,4,6-TrimethylbenzonitrileN-oxide;2,4,6-Trimethylbenzonitrile oxide;Mesitonitrile N-oxide;Mesitonitrile oxide;Mesitylenenitrile oxide;Mesitylnitrile oxide;NSC 82069; |
Article Data | 23 |
Benzonitrile,2,4,6-trimethyl-, N-oxide Specification
The Benzonitrile,2,4,6-trimethyl-, N-oxide, with the CAS registry number 2904-57-6, is also known as (Mesitylmethylidyne)azane oxide. This chemical's molecular formula is C10H11NO and molecular weight is 161.20044. Its IUPAC name is called 2,4,6-trimethylbenzonitrile oxide.
Physical properties of Benzonitrile,2,4,6-trimethyl-, N-oxide: (1)ACD/LogP: 3.20; (2)#H bond acceptors: 2; (3)Index of Refraction: 1.513; (4)Molar Refractivity: 49.43 cm3; (5)Molar Volume: 164.3 cm3; (6)Surface Tension: 31.2 dyne/cm; (7)Density: 0.98 g/cm3.
Uses of Benzonitrile,2,4,6-trimethyl-, N-oxide: it can be used to produce 5-(4-methoxy-phenyl)-3-(2,4,6-trimethyl-phenyl)-[1,2,4]oxadiazole at temperature of 50 °C. This reaction will need reagent CCl4.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C(=C1)C)C#[N+][O-])C
(2)InChI: InChI=1S/C10H11NO/c1-7-4-8(2)10(6-11-12)9(3)5-7/h4-5H,1-3H3
(3)InChIKey: ZILPALOUYKHPKI-UHFFFAOYSA-N
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