7-Fluoro-2H-1,4-benzoxazin-3(4H)-one supplier

Name
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
EINECS
CAS No. 103361-99-5
Article Data30
CAS DataBase
Density 1.347 g/cm³
Solubility
Melting Point 203-205 °C
Formula C₈H₆FNO₂
Boiling Point 327.871 °C at 760 mmHg
Molecular Weight 167.14
Flash Point 152.091 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-FLUORO-2H-1,4-BENZOXAZIN-3(4H)-ONE;7-FLUORO-2,4-DIHYDRO-1,4-BENZOXAZIN-3-ONE;7-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE;3-Oxo-7-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine;7-Fluoro-4H-benzo[1,4]oxazin-3-one;7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one;3,4-Dihydro-7-fluoro-3-oxo-2H-1,4-benzoxazine, 7-Fluoro-4H-benzo[b][1,4]oxazin-3-one
PSA 38.33000
LogP 1.29460

7-Fluoro-2H-1,4-benzoxazin-3(4H)-one Specification

The systematic name of 7-Fluoro-2H-1,4-benzoxazin-3(4H)-one is 7-fluoro-2H-1,4-benzoxazin-3(4H)-one. With the CAS registry number 103361-99-5, it is also named as 2H-1,4-benzoxazin-3(4H)-one, 7-fluoro-. In addition, its molecular formula is C₈H₆FNO₂and molecular weight is 167.1371.

The other characteristics of 7-Fluoro-2H-1,4-benzoxazin-3(4H)-one can be summarized as: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.95; (6)ACD/BCF (pH 7.4): 2.95; (7)ACD/KOC (pH 5.5): 75.5; (8)ACD/KOC (pH 7.4): 75.51; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 38.89 cm³; (15)Molar Volume: 124 cm³; (16)Polarizability: 15.41×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.347 g/cm³; (19)Flash Point: 152.1 °C; (20)Melting Point: 203-205 °C; (21)Enthalpy of Vaporization: 57.02 kJ/mol; (22)Boiling Point: 327.9 °C at 760 mmHg; (23)Vapour Pressure: 0.000197 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1ccc2NC(=O)COc2c1
(2)InChI: InChI=1/C8H6FNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
(3)InChIKey: TXRXHEOGQVPEBT-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H6FNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
(5)Std. InChIKey: TXRXHEOGQVPEBT-UHFFFAOYSA-N

Product Name

7-Fluoro-2H-1,4-benzoxazin-3(4H)-one

7-Fluoro-2H-1,4-benzoxazin-3(4H)-one Specification

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