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| CAS No.: | 67886-70-8 |
|---|---|
| Name: | 2-CYANO-6-METHOXYNAPHTHALENE |
| Article Data: | 23 |
| Molecular Structure: | |
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|
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| Formula: | C12H9NO |
| Molecular Weight: | 183.21 |
| Synonyms: | 2-Naphthonitrile,6-methoxy- (7CI);2-Cyano-6-methoxynaphthalene;6-Methoxy-2-naphthonitrile;6-Methoxynaphthalene-2-carbonitrile;NSC 408778; |
| Density: | 1.16 g/cm3 |
| Melting Point: | 106-107 °C(lit.) |
| Boiling Point: | 348.2 °C at 760 mmHg |
| Flash Point: | 146.9 °C |
| Hazard Symbols: |
 Xn, T
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 33.02000 |
| LogP: | 2.72008 |
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- Total:19 Page 1 of 1 1
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Specification
The 2-Naphthalenecarbonitrile,6-methoxy-, with the CAS registry number 67886-70-8, is also known as 2-Cyano-6-methoxynaphthalene. This chemical's molecular formula is C12H9NO and formula weight is 183.21. What's more, its IUPAC name is 6-methoxynaphthalene-2-carbonitrile.
Physical properties of 2-Naphthalenecarbonitrile,6-methoxy- are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.02 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 55.24 cm3; (9)Molar Volume: 156.6 cm3; (10)Surface Tension: 49.9 dyne/cm; (11)Density: 1.16 g/cm3; (12)Flash Point: 146.9 °C; (13)Enthalpy of Vaporization: 59.26 kJ/mol; (14)Boiling Point: 348.2 °C at 760 mmHg; (15)Vapour Pressure: 5.11E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by (6-bromo-[2]naphthyl)-methyl ether, hydrogen cyanide; copper(1+) salt by heating. This reaction will need solvent dimethylformamide with the reaction time of 4 hours. The yield is about 100%.
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Uses of 3-Nitro-2-pyridinesulfenyl: it can be used to produce 6-methoxy-[2]naphthoic acid by heating. It will need reagent 20% KOH, 36% H2O2 and solvent ethanol, H2O with the reaction time of 18 hours. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C#N
(2)InChI: InChI=1S/C12H9NO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,1H3
(3)InChIKey: SWEFYGCKCMJSPD-UHFFFAOYSA-N