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(E)-2-(2-Nitroethenyl)thiophene

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(E)-2-(2-Nitroethenyl)thiophene

EINECS 212-867-4
CAS No. 34312-77-1 Density 1.335 g/cm3
PSA 74.06000 LogP 2.51870
Solubility N/A Melting Point 79-81 °C(lit.)
Formula C6H5NO2S Boiling Point 269.7 °C at 760 mmHg
Molecular Weight 155.177 Flash Point 116.9 °C
Transport Information UN 2811 Appearance light yellow crystal powder
Safety 26-36/37/39-45-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 34312-77-1 ((E)-2-(2-Nitroethenyl)thiophene) Hazard Symbols HarmfulXn
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;

Article Data 33

(E)-2-(2-Nitroethenyl)thiophene 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

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