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Name
2H-Pyrido[3,2-b][1,4]oxazin-3(4H)-one
- EINECS 243-751-1
- CAS No. 20348-09-8
- Article Data13
- CAS DataBase
- Density 1.328g/cm3
- Solubility
- Melting Point 204-206 ºC
- Formula C7H6N2O2
- Boiling Point 384.159 °C at 760 mmHg
- Molecular Weight 150.137
- Flash Point 186.133 °C
- Transport Information
- Appearance
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Safety
Hazard Codes Xi Risk Statements 36/37/38 Safety Statements 26-37/39 WGK Germany 3 - Risk Codes R36/37/38
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Molecular Structure
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Hazard Symbols
- Synonyms 2H-Pyrido[3,2-b][1,4]oxazin-3-one;4H-Pyrido[3,2-b][1,4]oxazin-3-one;NSC 122276;
- PSA 51.22000
- LogP 0.55050
2H-Pyrido[3,2-b][1,4]oxazin-3(4H)-one Specification
The 2H-Pyrido[3,2-b][1,4]oxazin-3(4H)-one with cas registry number of 20348-09-8, is also called 2H-Pyrido[3,2-b][1,4]oxazin-3-one; 4H-Pyrido[3,2-b][1,4]oxazin-3-one.
Physical properties of 2H-Pyrido[3,2-b][1,4]oxazin-3(4H)-one: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 20.177; (5)ACD/KOC (pH 7.4): 20.206; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 51.22 Å2; (10)Index of Refraction: 1.568; (11)Molar Refractivity: 36.991 cm3; (12)Molar Volume: 113.06 cm3; (13)Polarizability: 14.664×10-24cm3; (14)Surface Tension: 50.751 dyne/cm; (15)Enthalpy of Vaporization: 63.279 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2H-Pyrido[3,2-b][1,4]oxazin-3(4H)-one irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES:c1cc2c(nc1)NC(=O)CO2;
(2)InChI:InChI=1/C7H6N2O2/c10-6-4-11-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10);
(3)InChIKey:ANHQLUBMNSSPBV-UHFFFAOYAH;
(4)Std. InChI:InChI=1S/C7H6N2O2/c10-6-4-11-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10);
(5)Std. InChIKey:ANHQLUBMNSSPBV-UHFFFAOYSA-N
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