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Cas Database |
| Name |
Benzene,4-bromo-2-ethoxy-1-nitro- |
EINECS | N/A |
| CAS No. | 57279-70-6 | Density | 1.587 g/cm3 |
| PSA | 55.05000 | LogP | 2.89170 |
| Solubility | N/A | Melting Point |
79.5-80.5 °C(Solv: ethanol (64-17-5)) |
| Formula | C8H8BrNO3 | Boiling Point | 351.2 °C at 760 mmHg |
| Molecular Weight | 246.06 | Flash Point | 166.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Nitro-5-bromophenetole;4-(2-Bromoethoxy)-1-nitrobenzene;5-Bromo-2-nitrophenyl ethyl ether; |
Article Data | 8 |
Benzene,4-bromo-2-ethoxy-1-nitro- Specification
The CAS register number of Benzene,4-bromo-2-ethoxy-1-nitro- is 57279-70-6. It also can be called as 2-bromoethyl 4-nitrophenyl ether and the systematic name about this chemical is 1-(2-bromoethoxy)-4-nitrobenzene. The molecular formula about this chemical is C8H8BrNO3 and the molecular weight is 246.05802. It belongs to the API intermediates.
Physical properties about Benzene,4-bromo-2-ethoxy-1-nitro- are: (1)ACD/LogP: 2.80; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 55.05Å2; (5)Index of Refraction: 1.583; (6)Molar Refractivity: 51.84 cm3; (7)Molar Volume: 154.9 cm3; (8)Polarizability: 20.55x10-24cm3; (9)Surface Tension: 49.6 dyne/cm; (10)Enthalpy of Vaporization: 57.23 kJ/mol; (11)Boiling Point: 351.2 °C at 760 mmHg; (12)Vapour Pressure: 8.47E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OCCBr)cc1
(2)InChI: InChI=1/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
(3)InChIKey: YQWCBDNNEZHPMA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
(5)Std. InChIKey: YQWCBDNNEZHPMA-UHFFFAOYSA-N
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