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Basic information

  • Name:
  • Naphth[2,3-d]oxazole,2-methyl-

  • CAS No.:
  • 20686-66-2

  • 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

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Specification

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.

The 1,4-bis[?-(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.

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

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