Phenoxazine(6CI,7CI,8CI);5,6-Dibenzo-1,4-oxazine;NSC 72990;10H-Phenoxazine;
The IUPAC name of Phenoxazine is 10H-phenoxazine. With the CAS registry number 135-67-1 and EINECS 205-210-8, it is aslo named as 5,6-Dibenzo-1,4-oxazine. The product's categories are Phenylamine Series; Benzoxazines; Building Blocks; Heterocyclic Building Blocks; N-Containing; Others. It is grey to green-grey fine crystalline powder which is soluble in ether, benzene, mineral acid and almost insoluble in water. When using this chemical, people should not breathe dust and avoid contact with skin and eyes. Additionally, it should be sealed in the container.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 490.94; (6)ACD/BCF (pH 7.4): 491.04; (7)ACD/KOC (pH 5.5): 2936.41; (8)ACD/KOC (pH 7.4): 2936.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 54.13 cm3; (14)Molar Volume: 153.1 cm3; (15)Polarizability: 21.46×10-24 cm3; (16)Surface Tension: 48.5 dyne/cm; (17)Enthalpy of Vaporization: 55.94 kJ/mol; (18)Vapour Pressure: 0.000372 mmHg at 25°C; (19)Exact Mass: 183.068414; (20)MonoIsotopic Mass: 183.068414; (21)Topological Polar Surface Area: 21.3; (22)Heavy Atom Count: 14; (23)Complexity: 187.
Uses of Phenoxazine: It is used as dyes intermediate. It is also used in organic synthesis and biochemical research. In addition, it can react with chloroacetyl chloride to get 10-chloroacetyl-10H-phenoxazine. This reaction needs solvent benzene by heating. The reaction time is 20 hours.
People can use the following data to convert to the molecule structure.
1. SMILES:O2c1ccccc1Nc3c2cccc3
2. InChI:InChI=1/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
3. InChIKey:TZMSYXZUNZXBOL-UHFFFAOYAS