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| CAS No.: | 5153-71-9 |
|---|---|
| Name: | TRANS-4-BROMO-BETA-NITROSTYRENE |
| Article Data: | 58 |
| Molecular Structure: | |
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|
|
| Formula: | C8H6BrNO2 |
| Molecular Weight: | 228.045 |
| Synonyms: | TRANS-4-BROMO-β-NITROSTYRENE |
| Density: | 1.596 g/cm3 |
| Melting Point: | 148-150 °C(lit.) |
| Boiling Point: | 318.9 °C at 760 mmHg |
| Flash Point: | 146.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 45.82000 |
| LogP: | 3.21970 |
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Specification
This chemical is called trans-4-Bromo-β-nitrostyrene, and its systematic name is 1-bromo-4-[(E)-2-nitroethenyl]benzene. With the molecular formula of C8H6BrNO2, its molecular weight is 228.04. The CAS registry number of this chemical is 5153-71-9. Additionally, its product categories are Ethanes/ethenes; Styrenes; Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. In addition, this chemical should be sealed in the cool, dry and ventilated place, away from oxides and alkali.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.04; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 45.82 Å2; (5)Index of Refraction: 1.636; (6)Molar Refractivity: 51.22 cm3; (7)Molar Volume: 142.8 cm3; (8)Polarizability: 20.3×10-24 cm3; (9)Surface Tension: 49.7 dyne/cm; (10)Density: 1.596 g/cm3; (11)Flash Point: 146.7 °C; (12)Enthalpy of Vaporization: 53.81 kJ/mol; (13)Boiling Point: 318.9 °C at 760 mmHg; (14)Vapour Pressure: 0.000654 mmHg at 25 °C.
Uses of this chemical: The trans-4-Bromo-β-nitrostyrene could react with Lithium triethylhydroborate to obtain the [2-(4-bromo-phenyl)-ethyl]-ethyl-amine. This reaction needs the reagent of BH3*THF, and the solvent of tetrahydrofuran. The yield is 56 %. In addition, this reaction should be taken at the temperature of 60 - 70 °C.
![The trans-4-Bromo-β-nitrostyrene could react with Lithium triethylhydroborate to obtain the [2-(4-bromo-phenyl)-ethyl]-ethyl-amine.](/UserFilesUpload/Uses of the trans-4-Bromo-β-nitrostyrene.jpg)
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES:Brc1ccc(/C=C/[N+]([O-])=O)cc1
2.InChI:InChI=1/C8H6BrNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+
3.InChIKey:LSGVHLGCJIBLMB-AATRIKPKBP
4.Std. InChI:InChI=1S/C8H6BrNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+ CopyCopied
5.Std. InChIKey:LSGVHLGCJIBLMB-AATRIKPKSA-N