6-ACETYL-2H-1,4-BENZOXAZIN-3(4H)-ONE

The CAS register number of 2H-1,4-Benzoxazin-3(4H)-one,6-acetyl- is 26518-71-8. It also can be called as 6-Acetyl-2H-1,4-benzoxazin-3(4H)-one and the IUPAC name about this chemical is 6-acetyl-4H-1,4-benzoxazin-3-one. The molecular formula about this chemical is C₁₀H₉NO₃ and the molecular weight is 191.18. It belongs to the following product categories which include Benzoxazines; Building Blocks; Heterocyclic Building Blocks and so on.

Physical properties about 2H-1,4-Benzoxazin-3(4H)-one,6-acetyl- are: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/BCF (pH 7.4): 1.87; (6)ACD/KOC (pH 5.5): 54.45; (7)ACD/KOC (pH 7.4): 54.45; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 48.92 cm³; (14)Molar Volume: 151.3 cm³; (15)Polarizability: 19.39x10^-24cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.263 g/cm³; (18)Flash Point: 214.7 °C; (19)Enthalpy of Vaporization: 68.69 kJ/mol; (20)Boiling Point: 431.3 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-07 mmHg at 25 °C.

Uses of 2H-1,4-Benzoxazin-3(4H)-one,6-acetyl-: it can be used to produce 6-Acetyl-4-ethyl-2H-1,4-benzoxazin-3(4)-one with bromoethane. This reaction will need reagent of KOH and solvent of acetone. This reaction needs heating. The reaction time is 5 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. If you store and use this chemical according the rule, it will not be decomposed. It is harmless to water, if no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc1OCC(=O)Nc1c2)C
(2)InChI: InChI=1/C10H9NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
(3)InChIKey: BKJFWHFUERNXLJ-UHFFFAOYAD