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Name |
4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)- |
EINECS | N/A |
CAS No. | 16063-03-9 | Density | 1.43 g/cm3 |
PSA | 88.92000 | LogP | 3.28640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H8N2O4 | Boiling Point | 421.7 °C at 760 mmHg |
Molecular Weight | 268.229 | Flash Point | 208.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4H-3,1-Benzoxazin-4-one,2-(m-nitrophenyl)- (6CI,8CI);NSC 163529; |
Article Data | 11 |
The 4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)- is an organic compound with the formula C14H8N2O4. The IUPAC name of this chemical is 2-(3-Nitrophenyl)-3,1-benzoxazin-4-one. With the CAS registry number 16063-03-9, it is also named as 2-(3-Nitrophenyl)-4H-3,1-benzoxazin-4-one. Besides, its molecular weight is 268.2243.
Physical properties about 4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)- are: (1)ACD/LogP: 2.53; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 84.48 Å2; (5)Index of Refraction: 1.679; (6)Molar Refractivity: 70.37 cm3; (7)Molar Volume: 186.3 cm3; (8)Polarizability: 27.89×10-24 cm3; (9)Surface Tension: 60.9 dyne/cm; (10)Density: 1.43 g/cm3; (11)Flash Point: 208.8 °C; (12)Enthalpy of Vaporization: 67.58 kJ/mol; (13)Boiling Point: 421.7 °C at 760 mmHg; (14)Vapour Pressure: 2.55E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H8N2O4/c17-14-11-6-1-2-7-12(11)15-13(20-14)9-4-3-5-10(8-9)16(18)19/h1-8H
(2)InChIKey: WKYQIWUAPDQQRV-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C14H8N2O4/c17-14-11-6-1-2-7-12(11)15-13(20-14)9-4-3-5-10(8-9)16(18)19/h1-8H
(4)Std. InChIKey: WKYQIWUAPDQQRV-UHFFFAOYSA-N