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| CAS No.: | 18800-37-8 |
|---|---|
| Name: | 1-(2-Bromoethoxy)-2-nitrobenzene |
| Article Data: | 20 |
| Molecular Structure: | |
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|
|
| Formula: | C8H8BrNO3 |
| Molecular Weight: | 246.06 |
| Synonyms: | Phenetole, b-bromo-o-nitro- (7CI,8CI);1-(2-Bromoethoxy)-2-nitrobenzene;NSC 212493; |
| Density: | 1.587g/cm3 |
| Melting Point: | 40-44 °C |
| Boiling Point: | 341.5 °C at 760 mmHg |
| Flash Point: | 160.3 °C |
| Hazard Symbols: |
 Xn;  Xi
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 55.05000 |
| LogP: | 2.89170 |
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Specification
The 1-(2-Bromoethoxy)-2-nitrobenzene, with CAS registry number 18800-37-8, belongs to the following product categories: (1)blocks; (2)Bromides; (3)NitroCompounds. It has the systematic name of 1-(2-bromoethoxy)-2-nitrobenzene. This chemical is a kind of yellow crystalline powder. And it should be stored at the temperature of 0-6°C.
Physical properties of 1-(2-Bromoethoxy)-2-nitrobenzene: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 51.84 cm3; (9)Molar Volume: 154.9 cm3; (10)Polarizability: 20.55×10-24cm3; (11)Surface Tension: 49.6 dyne/cm; (12)Enthalpy of Vaporization: 56.2 kJ/mol; (13)Vapour Pressure: 0.000158 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-nitro-phenol and 1,2-dibromo-ethane. This reaction will need reagents aq. NaOH, benzyltriethylammonium chloride. The reaction time is 8.5 hour(s). The yield is about 62%.
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Uses of 1-(2-Bromoethoxy)-2-nitrobenzene: it can be used to produce allyl-[2-(2-nitro-phenoxy)-ethyl]-amine. This reaction will need reagent acetonitrile. The yield is about 94%.
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When you are using this chemical, please be cautious about it as the following:
The 1-(2-Bromoethoxy)-2-nitrobenzene irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. 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: [O-][N+](=O)c1ccccc1OCCBr
(2)InChI: InChI=1/C8H8BrNO3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2
(3)InChIKey: AHOFWSHLRKOJBS-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H8BrNO3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2
(5)Std. InChIKey: AHOFWSHLRKOJBS-UHFFFAOYSA-N