5-Fluoroisatonic anhydride

The 5-Fluoroisatonic anhydride, with the CAS registry number 321-69-7, is also known as 6-Fluoro-1H-benzo[d][1,3]oxazine-2,4-dione and 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-fluoro-. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C₈H₄FNO₃ and molecular weight is 181.12. What's more, its IUPAC name is 6-Fluoro-1H-3,1-benzoxazine-2,4-dione and systematic name is called 6-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione.

Physical properties about this chemical are: (1) ACD/LogP: 0.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.96; (4) ACD/LogD (pH 7.4): 0.95; (5) ACD/BCF (pH 5.5): 3.14; (6) ACD/BCF (pH 7.4): 3.12; (7) ACD/KOC (pH 5.5): 78.93; (8) ACD/KOC (pH 7.4): 78.46; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 46.61 Å²; (13) Index of Refraction: 1.56; (15) Molar Refractivity: 39.02 cm³; (16) Molar Volume: 120.5 cm³; (17) Surface Tension: 48.8 dyne/cm; (18) Density: 1.502 g/cm³; (19) Melting Point: 259-262 °C.

Preparation of 5-Fluoroisatonic anhydride : this chemical is prepared by reaction of 5-Fluoro-indole-2,3-dione.


This reaction needs reagent Ac₂O, CrO₃ and solvent Acetic acid at temperature of 80 - 90 °C.

Uses of 5-Fluoroisatonic anhydride: it is used to produce other chemicals. For example, it is used to produce 2-Amino-5-fluoro-N-methyl-N-prop-2-ynyl-benzamide.


The reaction occurs with reagent Dimethyl formamide and other condition of heating for 3 hours.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing and in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc1c(C(=O)OC(=O)N1)c2
(2) InChI: InChI=1/C8H4FNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
(3) InChIKey: UBKGOWGNYKVYEF-UHFFFAOYAD