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2904-57-6

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Basic Information
CAS No.: 2904-57-6
Name: 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE
Article Data: 23
Molecular Structure:
Molecular Structure of 2904-57-6 (2,4,6-TRIMETHYLBENZONITRILE N-OXIDE)
Formula: C10H11NO
Molecular Weight: 161.203
Synonyms: 2,4,6-TrimethylbenzonitrileN-oxide;2,4,6-Trimethylbenzonitrile oxide;Mesitonitrile N-oxide;Mesitonitrile oxide;Mesitylenenitrile oxide;Mesitylnitrile oxide;NSC 82069;
Density: 0.98 g/cm3
Melting Point: 113-114℃ (methanol )
Boiling Point: 287.51°C (rough estimate)
Hazard Symbols: Xn
Risk Codes: 20/21/22-36
Safety: 26-36/37
PSA: 30.67000
LogP: 2.51698
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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.

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