5H-Benzo[a]phenoxazin-5-one,6-chloro-9-nitro- supplier

Name
6-CHLORO-9-NITRO-5-OXO-5H-BENZO[A]PHENOXAZINE
EINECS
CAS No. 73397-12-3
Article Data5
CAS DataBase
Density 1.63 g/cm³
Solubility
Melting Point
Formula C₁₆H₇ClN₂O₄
Boiling Point 445.3 °C at 760 mmHg
Molecular Weight 326.696
Flash Point 223.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloro-9-nitro-5H-benzo[a]phenoxazin-5-one;6-Chloro-9-nitro-5-oxo-5H-benzo[a]phenoxazine;
PSA 88.92000
LogP 4.53080

5H-Benzo[a]phenoxazin-5-one,6-chloro-9-nitro- Specification

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%.

5H-Benzo[a]phenoxazin-5-one,6-chloro-9-nitro- can be prepared by 2-amino-5-nitro-phenol and 2,3-dichloro-[1,4]naphthoquinone.

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

Product Name

6-CHLORO-9-NITRO-5-OXO-5H-BENZO[A]PHENOXAZINE

5H-Benzo[a]phenoxazin-5-one,6-chloro-9-nitro- Specification

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