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| CAS No.: | 34312-77-1 |
|---|---|
| Name: | (E)-2-(2-Nitroethenyl)thiophene |
| Article Data: | 33 |
| Molecular Structure: | |
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|
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| Formula: | C6H5NO2S |
| Molecular Weight: | 155.177 |
| Synonyms: | Thiophene,2-(2-nitroethenyl)-, (E)-;Thiophene, 2-(2-nitrovinyl)-, (E)- (8CI);(E)-1-Nitro-2-(thien-2-yl)ethene;2-(E)-2-Nitroethenylthiophene;2-[(1E)-2-Nitroethenyl]thiophene;2-[(E)-2-Nitroethenyl]thiophene;trans-2-(2-Nitroethenyl)thiophene;trans-2-(2-Nitrovinyl)thiophene; |
| EINECS: | 212-867-4 |
| Density: | 1.335 g/cm3 |
| Melting Point: | 79-81 °C(lit.) |
| Boiling Point: | 269.7 °C at 760 mmHg |
| Flash Point: | 116.9 °C |
| Appearance: | light yellow crystal powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-45-36 |
| Transport Information: | UN 2811 |
| PSA: | 74.06000 |
| LogP: | 2.51870 |
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Specification
The IUPAC name of 2-[(E)-2-Nitroethenyl]thiophene is 2-[(E)-2-nitroethenyl]thiophene. With the CAS registry number 34312-77-1, it is also named as Thiophene,2-(2-nitroethenyl)-, (E)-. The product is light yellow crystal powder. In addition, its molecular formula is C6H5NO2S and molecular weight is 155.17.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 74.06 Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 41.91 cm3; (9)Molar Volume: 116.1 cm3; (10)Polarizability: 16.61×10-24cm3; (11)Surface Tension: 52.1 dyne/cm; (12)Density: 1.335 g/cm3; (13)Flash Point: 116.9 °C; (14)Melting Point: 79-81 °C; (15)Enthalpy of Vaporization: 48.74 kJ/mol; (16)Boiling Point: 269.7 °C at 760 mmHg; (17)Vapour Pressure: 0.0118 mmHg at 25 °C.
Preparation of 2-[(E)-2-Nitroethenyl]thiophene: this chemical can be prepared by Thiophene-2-carbaldehyde and Nitromethane.
This reaction needs Methanol and aq. NaOH solution.
Uses of 2-[(E)-2-Nitroethenyl]thiophene: it can be used to produce 2-Thiophen-2-yl-ethylamine.
This reaction needs LiAlH4 and Diethyl ether. The yield is 63 %.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])\C=C\c1sccc1
(2)InChI: InChI=1/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
(3)InChIKey: UTPOWFFIBWOQRK-ONEGZZNKBK
(4)Std. InChI: InChI=1S/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
(5)Std. InChIKey: UTPOWFFIBWOQRK-ONEGZZNKSA-N