1-(4-Methoxyphenyl)-2-nitroethylene supplier

Name
1-(4-Methoxyphenyl)-2-nitroethylene
EINECS
CAS No. 3179-10-0
Article Data226
CAS DataBase
Density 1.189 g/cm³
Solubility
Melting Point 86-88 °C(lit.)
Formula C₉H₉NO₃
Boiling Point 317 °C at 760 mmHg
Molecular Weight 179.175
Flash Point 153.5 °C
Transport Information
Appearance solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Anisole,p-(2-nitrovinyl)- (6CI,7CI,8CI);1-(4-Methoxyphenyl)-2-nitroethene;1-Methoxy-4-(2-nitroethenyl)benzene;1-Methoxy-4-(2-nitrovinyl)benzene;2-(4-Methoxyphenyl)-1-nitroethene;2-(4-Methoxyphenyl)nitroethylene;4-(2-Nitrovinyl)anisole;4-Methoxy-b-nitrostyrene;4-Methoxy-w-nitrostyrene;Chembridge 5102117;NSC 23856;p-(2-Nitrovinyl)anisole;p-Methoxy-b-nitrostyrene;
PSA 55.05000
LogP 2.46580

1-(4-Methoxyphenyl)-2-nitroethylene Specification

The Benzene,1-methoxy-4-(2-nitroethenyl)-, with the CAS registry number 3179-10-0, has the systematic name and IUPAC name of 1-methoxy-4-[(E)-2-nitroethenyl]benzene. It belongs to the product category of Styrenes. And the molecular formula of the chemical is C₉H₉NO₃.

The characteristics of Benzene,1-methoxy-4-(2-nitroethenyl)- are as followings: (1)ACD/LogP: 2.09; (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: 55.05 Å²; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 50.21 cm³; (9)Molar Volume: 150.6 cm³; (10)Polarizability: 19.9×10^-24cm³; (11)Surface Tension: 42.9 dyne/cm; (12)Density: 1.189 g/cm³; (13)Flash Point: 153.5 °C; (14)Enthalpy of Vaporization: 53.62 kJ/mol; (15)Boiling Point: 317 °C at 760 mmHg; (16)Vapour Pressure: 0.000735 mmHg at 25°C.

Preparation of Benzene,1-methoxy-4-(2-nitroethenyl)-: This chemical can be prepared by 4-methoxy-benzaldehyde and nitromethane. And the yield is about 72%.

Uses of Benzene,1-methoxy-4-(2-nitroethenyl)-: It can react with 2-hydroxy-5-methoxy-benzaldehyde to produce 6-methoxy-2-(4-methoxy-phenyl)-3-nitro-2H-chromene. This reaction will need reagent Et₃N. The reaction time is 18 hours with ambient temperature, and the yield is about 84%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)\C=C\c1ccc(OC)cc1
(2)InChI: InChI=1/C9H9NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3/b7-6+
(3)InChIKey: JKQUXSHVQGBODD-VOTSOKGWBV

Product Name

1-(4-Methoxyphenyl)-2-nitroethylene

1-(4-Methoxyphenyl)-2-nitroethylene Specification

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