1-Phenyl-2-nitropropene
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1-Phenyl-2-nitropropene
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CAS No:
705-60-2
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Formula:
C9H9NO2
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Chemical Name:
1-Phenyl-2-nitropropene
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Synonyms:
Benzene,(2-nitro-1-propen-1-yl)-;Benzene,(2-nitropropenyl)-;Benzene,(2-nitro-1-propenyl)-;(2-Nitro-1-propen-1-yl)benzene;(2-Nitropropenyl)benzene;β-Methyl-β-nitrostyrene;1-Phenyl-2-nitro-2-methylethene;1-Phenyl-2-nitro-1-propene;2-Nitro-1-phenyl-1-propene;1-Phenyl-2-nitropropene;2-Nitro-1-phenylpropene;(2-Nitro-1-propenyl)benzene;2-Nitro-3-phenyl-2-propene;NSC 2014;1-(2-Nitropropenyl)benzene;1-(2-Nitroprop-1-enyl)benzene;trans-β-Methyl nitrostyrene
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CAS No:
Characteristics
45.82000
2.70
Yellow Crystalline Powder
1.1±0.1 g/cm3
65-66 °C
263.0±9.0 °C at 760 mmHg
115.7±11.5 °C
1.586
2-8°C
Safety Information
3
36/37/38
26-36-37/39
DA6495000
Xi
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Phenyl-2-nitropropene Use and Manufacturing
1-Phenyl-2-nitropropene, as an organic compound containing nitro - and aromatic rings, has wide application prospects and plays an important role in the chemical industry and biological activity research. First, 1-Phenyl-2-nitropropene can be used as a pharmaceutical intermediate. The nitroolefin structure is an important skeleton for many drug molecules, for example, the anticancer drug cisplatin is based on this structure. By further chemical modification and structural optimization of 1-Phenyl-2-nitropropene, novel drug candidate compounds with potential biological activity can be synthesized. In addition, 1-Phenyl-2-nitropropene can also be used as an intermediate for the synthesis of functional small molecules such as pesticides and fungicides. Secondly, in the field of organic synthetic chemistry, 1-Phenyl-2-nitropropene also has important applications. As an active α-β-unsaturated nitroolefin, it can participate in a variety of organic reactions, such as 1, 3-dipole cycloaddition, Michael addition, alkylation reactions, etc., to synthesize a variety of target compounds containing nitro and aromatic ring structures. These compounds are widely used in pharmaceutical, materials science and other fields. In addition, 1-Phenyl 2-nitropropene and its derivatives also exhibit certain biological activity, such as glyphosate antagonism and antimicrobial activity. This makes them have a promising application in pesticide development, antimicrobial agent design and other fields. The structural modification and activity evaluation of 1-Phenyl-2-nitropropene enables researchers to develop new and highly effective environmentally friendly pesticides and antimicrobials. In addition, it is worth mentioning that 1-Phenyl-2-nitropropene has also found its place in the dyes and pigments industry. Its unique nitro and aromatic ring structure gives it rich color and stability, making it an important raw material for the preparation of high-quality dyes and pigments. These dyes and pigments are not only bright colors, good light resistance, but also have good weather resistance and chemical resistance, so they are widely used in textile, paint, plastics and other industries. In the field of materials science, 1-Phenyl-2-nitropropene also shows great potential. As an organic molecule with specific functions, it can be used as a monomer to synthesize polymer materials, and a new material with specific properties can be prepared by polymerization reaction. For example, copolymerization of 1-Phenyl-2-nitropropene with other monomers can produce polymer materials with excellent photoelectric properties, which have a wide range of applications in solar cells, light-emitting diodes and other fields. In the energy sector, 1-Phenyl-2-nitropropene has also shown its unique value. As a renewable organic compound, it can be used as a raw material for biofuels, and clean energy such as biodiesel can be prepared through a bioconversion or chemical conversion process. This will not only help reduce dependence on fossil fuels, but also reduce greenhouse gas emissions and achieve sustainable development. 1-Phenyl-2-nitropropene is an organic compound with wide application prospects, showing its unique value and potential in the fields of medicine, pesticides, organic synthesis, dyes and pigments, materials science, and energy. With the continuous development and innovation of science and technology, it is believed that the application field of 1-Phenyl-2-nitropropene will continue to expand and make greater contributions to the development and progress of human society.
Computed Properties
Molecular Weight:163.17
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:187
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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