| Identification | |
| Name: | 2H-1,4-Benzoxazine,3,4-dihydro- |
| Synonyms: | 2,3-Dihydro-1,4-benzoxazine;2,3-Dihydro-4H-1,4-benzoxazine;3,4-Dihydro-2H-1,4-benzoxazine;3,4-Dihydro-2H-benzo[1,4]oxazine;3,4-Dihydro-2H-benzo[b][1,4]oxazine;Benzomorpholine;Phenmorpholine;Phenomorpholine; |
| CAS: | 5735-53-5 |
| Molecular Formula: | C8H9NO |
| Molecular Weight: | 135.16 |
| InChI: | InChI=1/C52H61N3O11/c1-28-16-15-17-29(2)51(63)53-40-42(55-25-23-54(24-26-55)41(34-18-11-9-12-19-34)35-20-13-10-14-21-35)48(61)37-38(47(40)60)46(59)33(6)49-39(37)50(62)52(7,66-49)65-27-22-36(64-8)30(3)44(57)32(5)45(58)31(4)43(28)56/h9-22,27-28,30-32,36,41,43-45,56-59H,23-26H2,1-8H3,(H,53,63) |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 91°C |
| Boiling Point: | 250.6°Cat760mmHg |
| Density: | 1.095g/cm3 |
| Refractive index: | 1.658 |
| Specification: |
The Benzomorpholine, with the cas registry number 5735-53-5, has the systematic name of 3,4-dihydro-2H-1,4-benzoxazine. It belongs to the product categories of Pharmacetical and Heterocycles series. And the molecular formula of the chemical is C8H9NO. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 9.65; (6)ACD/BCF (pH 7.4): 10.36; (7)ACD/KOC (pH 5.5): 172.8; (8)ACD/KOC (pH 7.4): 185.51; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 38.76 cm3; (15)Molar Volume: 123.3 cm3; (16)Polarizability: 15.36×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.095 g/cm3; (19)Flash Point: 91 °C; (20)Enthalpy of Vaporization: 48.78 kJ/mol; (21)Boiling Point: 250.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0215 mmHg at 25°C. Preparation of Benzomorpholine: This chemical can be prepared by 4-acetyl-3,4-dihydro-2H-benzo[1,4]oxazine. The reaction will need reagent 70% Redal, and the menstruum toluene. The reaction time is 70 minutes with temperature of -40°C, and the yield is about 100%. Uses of Benzomorpholine: It can react with chloroacetyl chloride to produce 4-chloroacetyl-3,4-dihydro-2H-benzo[1,4]oxazine. This reaction will need reagent pyridine, and the menstruum benzene. And the yield is about 100%. You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Addtionally, the following datas could be converted into the molecular structure: |
| Flash Point: | 91°C |
| Safety Data | |
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