Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5H-Benzo[a]phenoxazin-5-one,6-chloro-9-nitro- |
EINECS | N/A |
CAS No. | 73397-12-3 | Density | 1.63 g/cm3 |
PSA | 88.92000 | LogP | 4.53080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H7ClN2O4 | Boiling Point | 445.3 °C at 760 mmHg |
Molecular Weight | 326.696 | Flash Point | 223.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Chloro-9-nitro-5H-benzo[a]phenoxazin-5-one;6-Chloro-9-nitro-5-oxo-5H-benzo[a]phenoxazine; |
Article Data | 5 |
The CAS registry number of 5H-Benzo[a]phenoxazin-5-one,6-chloro-9-nitro- is 73397-12-3. The IUPAC name is 6-chloro-9-nitro-5H-benzo[a]phenoxazin-5-one. In addition, the formula is C16H7ClN2O4 and the molecular weight is 326.69.
Physical properties about this chemical are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.53; (6)ACD/BCF (pH 7.4): 61.53; (7)ACD/KOC (pH 5.5): 664.13; (8)ACD/KOC (pH 7.4): 664.13; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.48 Å2; (13)Index of Refraction: 1.755; (14)Molar Refractivity: 81.64 cm3; (15)Molar Volume: 199.2 cm3; (16)Polarizability: 32.36 ×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.63 g/cm3; (19)Flash Point: 223.1 °C; (20)Enthalpy of Vaporization: 70.32 kJ/mol; (21)Boiling Point: 445.3 °C at 760 mmHg; (22)Vapour Pressure: 4.01E-08 mmHg at 25°C.
Preparation of 5H-Benzo[a]phenoxazin-5-one,6-chloro-9-nitro-: it can be prepared by 2-amino-5-nitro-phenol and 2,3-dichloro-[1,4]naphthoquinone. This reaction will need reagent potassium acetate and solvent ethanol. And the reaction time is 2 hours with temperature of 90-100 °C. The yield is about 76%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2\N=C3C(\Oc2c1)=C(\Cl)C(=O)c4ccccc34
(2)InChI: InChI=1/C16H7ClN2O4/c17-13-15(20)10-4-2-1-3-9(10)14-16(13)23-12-7-8(19(21)22)5-6-11(12)18-14/h1-7H
(3)InChIKey: ORQQSXRWRGYETD-UHFFFAOYAB