Product Name

  • Name

    6-fluoro-2-methyl-4H-benzo[d][1,3]oxazin-4-one

  • EINECS
  • CAS No. 38520-78-4
  • Article Data14
  • CAS DataBase
  • Density 1.36 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H6FNO2
  • Boiling Point 297 °C at 760 mmHg
  • Molecular Weight 179.149
  • Flash Point 133.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 38520-78-4 (6-fluoro-2-methyl-4H-benzo[d][1,3]oxazin-4-one)
  • Hazard Symbols
  • Synonyms 6-Fluor-2-methyl-4h-3,1-benzoxazin-4-on;
  • PSA 43.10000
  • LogP 1.63550

6-Fluoro-2-methyl-4H-benzo[d][1,3]oxazin-4-one Specification

The 4H-3,1-Benzoxazin-4-one,6-fluoro-2-methyl-, with the CAS registry number of 38520-78-4, is also known as 6-Fluor-2-methyl-4h-3,1-benzoxazin-4-on. Its molecular formula is C9H6FNO2 and molecular weight is 179.149. What's more, its systematic name is 6-Fluoro-2-methyl-4H-3,1-benzoxazin-4-one.

Physical properties about the 4H-3,1-Benzoxazin-4-one,6-fluoro-2-methyl- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 38.66 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 43.9 cm3; (9)Molar Volume: 130.9 cm3; (10)Surface Tension: 40.1 dyne/cm; (11)Density: 1.36 g/cm3; (12)Flash Point: 133.4 °C; (13)Enthalpy of Vaporization: 53.68 kJ/mol; (14)Boiling Point: 297 °C at 760 mmHg; (15)Vapour Pressure: 0.00139 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc2/N=C(\OC(=O)c2c1)C
(2) InChI: InChI=1/C9H6FNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
(3) InChIKey: REAWYHMDDZZSSJ-UHFFFAOYAI

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