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Basic Information |
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Cas Database |
Name |
1-(2-Bromoethyl)-2-(2-nitroethenyl)benzene |
EINECS | N/A |
CAS No. | 120427-94-3 | Density | 1.483 g/cm3 |
PSA | 45.82000 | LogP | 3.39460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10BrNO2 | Boiling Point | 340.905 °C at 760 mmHg |
Molecular Weight | 256.099 | Flash Point | 159.974 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
|
Hazard Symbols | N/A |
Synonyms |
2-(2-Bromoethyl)-B-Nitrostyrene; |
Article Data | 4 |
The Benzene,1-(2-bromoethyl)-2-(2-nitroethenyl)-, with the CAS registry number 120427-94-3, is also known as 2-(2-Bromoethyl)-B-Nitrostyrene. It belongs to the product category of Pharmaceutical material and Intermeidates. This chemical's molecular formula is C10H10BrNO2 and molecular weight is 256.10. What's more, its systematic name is 1-(2-bromoethyl)-2-[(E)-2-nitroethenyl]benzene.
Physical properties of Benzene,1-(2-bromoethyl)-2-(2-nitroethenyl)- are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 60.813 cm3; (9)Molar Volume: 172.68 cm3; (10)Polarizability: 24.108×10-24cm3; (11)Surface Tension: 49.369 dyne/cm; (12)Density: 1.483 g/cm3; (13)Flash Point: 159.974 °C; (14)Enthalpy of Vaporization: 56.137 kJ/mol; (15)Boiling Point: 340.905 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCc1ccccc1\C=C\[N+]([O-])=O
(2)Std. InChI: InChI=1S/C10H10BrNO2/c11-7-5-9-3-1-2-4-10(9)6-8-12(13)14/h1-4,6,8H,5,7H2/b8-6+
(3)Std. InChIKey: FCPRCFFVLWHIBS-SOFGYWHQSA-N