Benzene,1-methoxy-4-[(1E)-2-nitroethenyl]- supplier

Name
4-METHOXY-BETA-NITROSTYRENE
EINECS
CAS No. 5576-97-6
Article Data123
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
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (E)-1-(4-Methoxyphenyl)-2-nitroethene;(E)-1-Methoxy-4-(2-nitroethenyl)benzene;(E)-2-(4-Methoxyphenyl)-1-nitroethene;(E)-4-Methoxy-b-nitrostyrene;Benzene, 1-methoxy-4-(2-nitroethenyl)-, (E)-;Anisole,p-(2-nitrovinyl)-, (E)- (8CI);(E)-p-Methoxy-b-nitrostyrene;1-Methoxy-4-((E)-2-nitroethenyl)benzene;E-1-Nitro-2-p-anisylethene;p-Methoxy-trans-b-nitrostyrene;trans-p-Methoxy-b-nitrostyrene;trans-4-Methoxy-b-nitrostyrene;
PSA 55.05000
LogP 2.46580

Benzene,1-methoxy-4-[(1E)-2-nitroethenyl]- Specification

The Benzene, 1-methoxy-4-[(1E)-2-nitroethenyl]-, with the CAS registry number 5576-97-6, is also known as Methyl 4-[(E)-2-nitroethenyl]phenyl ether. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks. This chemical's molecular formula is C₉H₉NO₃ and molecular weight is 179.17. What's more, its IUPAC name is 1-Methoxy-4-[(E)-2-nitroethenyl]benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from light.

Physical properties about Benzene, 1-methoxy-4-[(1E)-2-nitroethenyl]- are: (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^-24 cm³; (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.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into 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

4-METHOXY-BETA-NITROSTYRENE

Benzene,1-methoxy-4-[(1E)-2-nitroethenyl]- Specification

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