-
Name
6-NITRO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
- EINECS
- CAS No. 28226-22-4
- Article Data2
- CAS DataBase
- Density 1.332 g/cm3
- Solubility
- Melting Point 117-119 °C
- Formula C8H8N2O3
- Boiling Point 337.1 °C at 760 mmHg
- Molecular Weight 180.16
- Flash Point 157.7 °C
- Transport Information
- Appearance
- Safety 45
- Risk Codes 25
-
Molecular Structure
- Hazard Symbols T
- Synonyms 6-Nitro-2,3-dihydrobenz-1,4-oxazine;6-Nitro-3,4-dihydro-2H-benzo[1,4]oxazine;
- PSA 67.08000
- LogP 2.06030
2H-1,4-Benzoxazine,3,4-dihydro-6-nitro- Specification
The CAS register number of 2H-1,4-Benzoxazine,3,4-dihydro-6-nitro- is 28226-22-4. It also can be called as 6-Nitro-2,3-dihydrobenz-1,4-oxazine and the IUPAC name about this chemical is 6-nitro-3,4-dihydro-2H-1,4-benzoxazine. The molecular formula about this chemical is C8H8N2O3 and the molecular weight is 180.16. This chemical is irritant.
Physical properties about 2H-1,4-Benzoxazine,3,4-dihydro-6-nitro- are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.21; (5)ACD/BCF (pH 7.4): 23.24; (6)ACD/KOC (pH 5.5): 330.33; (7)ACD/KOC (pH 7.4): 330.8; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 58.29 Å2; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 45.31 cm3; (14)Molar Volume: 135.1 cm3; (15)Polarizability: 17.96x10-24cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Density: 1.332 g/cm3; (18)Flash Point: 157.7 °C; (19)Enthalpy of Vaporization: 58.04 kJ/mol; (20)Boiling Point: 337.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000107 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1OCCNc1c2
(2)InChI: InChI=1/C8H8N2O3/c11-10(12)6-1-2-8-7(5-6)9-3-4-13-8/h1-2,5,9H,3-4H2
(3)InChIKey: GZAJZBARYACGSO-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H8N2O3/c11-10(12)6-1-2-8-7(5-6)9-3-4-13-8/h1-2,5,9H,3-4H2
(5)Std. InChIKey: GZAJZBARYACGSO-UHFFFAOYSA-N
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