2-Propenal,3-(3-nitrophenyl)-, (2E)- supplier

Name
2-PROPENAL, 3-(3-NITROPHENYL)-,(2E)
EINECS
CAS No. 56578-39-3
Article Data11
CAS DataBase
Density 1.269 g/cm³
Solubility
Melting Point
Formula C₉H₇NO₃
Boiling Point 337.1 °C at 760 mmHg
Molecular Weight 177.159
Flash Point 170.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenal,3-(3-nitrophenyl)-, (E)-;trans-3-(3-Nitrophenyl)-2-propenal;trans-3-Nitrocinnamaldehyde;3-Nitrocinnamaldehyde;(2E)-3-(3-Nitrophenyl)prop-2-enal;(2E)-3-(3-Nitrophenyl)acrylaldehyde;
PSA
LogP

2-Propenal,3-(3-nitrophenyl)-, (2E)- Specification

The 2-Propenal,3-(3-nitrophenyl)-, (2E)-, with the CAS registry number 56578-39-3, is also known as 3-Nitrocinnamaldehyde. This chemical's molecular formula is C₉H₇NO₃ and molecular weight is 177.16. What's more, its systematic name is (2E)-3-(3-Nitrophenyl)prop-2-enal.

Physical properties of 2-Propenal,3-(3-nitrophenyl)-, (2E)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 62.89 Å²; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 48.87 cm³; (9)Molar Volume: 139.5 cm³; (10)Polarizability: 19.37×10^-24cm³; (11)Surface Tension: 51.8 dyne/cm; (12)Density: 1.269 g/cm³; (13)Flash Point: 170.2 °C; (14)Enthalpy of Vaporization: 58.04 kJ/mol; (15)Boiling Point: 337.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000107 mmHg at 25°C.

Preparation: this chemical can be prepared by 3t-(3-nitro-phenyl)-acryloyl chloride at the ambient temperature. This reaction will need solvent CH₂Cl₂ with the reaction time of 0.16 hour. The yield is about 90%.

2-Propenal,3-(3-nitrophenyl)-, (2E)- can be prepared by 3t-(3-nitro-phenyl)-acryloyl chloride at the ambient temperature

Uses of 2-Propenal,3-(3-nitrophenyl)-, (2E)-: it can be used to produce 2-(3'-nitrophenyl)ethen-1-yl-oxirane by heating. It will need reagent 50 percent NaOH and solvent CH₂Cl₂ with the reaction time of 24 hours. This reaction will also need catalyst Bu₄NI. The yield is about 82%.

2-Propenal,3-(3-nitrophenyl)-, (2E)- can be used to produce 2-(3'-nitrophenyl)ethen-1-yl-oxirane by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(\C=C\C=O)ccc1
(2)InChI: InChI=1S/C9H7NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-7H/b4-2+
(3)InChIKey: JKTVNBZTQKQRSH-DUXPYHPUSA-N

Product Name

2-PROPENAL, 3-(3-NITROPHENYL)-,(2E)

2-Propenal,3-(3-nitrophenyl)-, (2E)- Specification

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