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CAS No.: | 20686-66-2 |
---|---|
Name: | 2-METHYLNAPHTH[2,3-D]OXAZOLE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H9NO |
Molecular Weight: | 183.21 |
Synonyms: | 2-Methylnaphtho[2,3-d]oxazole;2-Methyl-naphtho[2,3-d]oxazole; |
Density: | 1.221 g/cm3 |
Melting Point: | 87-89 °C |
Boiling Point: | 321.3 °C at 760 mmHg |
Flash Point: | 131.1 °C |
Hazard Symbols: | F,C,Xi |
Risk Codes: | R11; R14; R34; R37; R35; R36/37/38 |
PSA: | 26.03000 |
LogP: | 3.28940 |
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This chemical is called Naphth[2,3-d]oxazole,2-methyl-, and it can also be named as 2-Methylnaphth(2,3-d)oxazole. With the molecular formula of C12H9NO, its molecular weight is 183.21. The CAS registry number of this chemical is 20686-66-2, and its product category is Oxazole & Isoxazole. Additionally, the systematic name of this chemical is 2-Methylnaphtho[2,3-d][1,3]oxazole.
Other characteristics of the Naphth[2,3-d]oxazole,2-methyl- can be summarised as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.03 Å2; (7)Index of Refraction: 1.687; (8)Molar Refractivity: 57.15 cm3; (9)Molar Volume: 149.9 cm3; (10)Polarizability: 22.65×10-24 cm3; (11)Surface Tension: 50.9 dyne/cm; (12)Density: 1.221 g/cm3; (13)Flash Point: 131.1 °C; (14)Enthalpy of Vaporization: 54.06 kJ/mol; (15)Boiling Point: 321.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000565 mmHg at 25°C.
Uses of this chemical: The 1,4-bis[b-naphth[2,3-d]oxazol-2-yl)vinyl]benzene could be obtained by the reactants of Naphth[2,3-d]oxazole,2-methyl- and benzene-1,4-dicarbaldehyde. This reaction needs the reagent of KOH, and the solvent of dimethylformamide. The yield is 54 %. This reaction should be taken for 1 hour at the ambient temperature.
You can still convert the following datas into molecular structure:
1.SMILES: n1c3c(oc1C)cc2ccccc2c3
2.InChI: InChI=1/C12H9NO/c1-8-13-11-6-9-4-2-3-5-10(9)7-12(11)14-8/h2-7H,1H3
3.InChIKey: WMIHEWJRNFUVNR-UHFFFAOYAD