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| CAS No.: | 874-84-0 |
|---|---|
| Name: | 2-[(E)-2-Nitrovinyl]thiophene |
| Article Data: | 33 |
| Molecular Structure: | |
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|
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| Formula: | C6H5NO2S |
| Molecular Weight: | 155.177 |
| Synonyms: | Thiophene,2-(2-nitrovinyl)- (6CI,7CI,8CI);1-Nitro-2-(2-thienyl)ethylene;1-Nitro-2-(thien-2-yl)ethene;2-(2-Nitroethenyl)thiophene;Thiophene,2-(2-nitroethenyl)-;2-Furyl-1-nitroethene;2-Thienylnitroethylene;NSC22059; |
| EINECS: | 212-867-4 |
| Density: | 1.335 g/cm3 |
| Melting Point: | 81 °C |
| Boiling Point: | 269.7 °C at 760 mmHg |
| Flash Point: | 116.9 °C |
| PSA: | 74.06000 |
| LogP: | 2.51870 |
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Chemistry
IUPAC Name: 2-[(E)-2-Nitroethenyl]thiophene
Following is the structure of 2-(2-Nitrovinyl)thiophene (CAS NO.874-84-0):
Empirical Formula: C6H5NO2S
Molecular Weight: 155.17
EINECS: 212-867-4
Index of Refraction: 1.641
Molar Refractivity: 41.91 cm3
Molar Volume: 116.1 cm3
Density: 1.335 g/cm3
Flash Point: 116.9 °C
Melting Point: 81 °C
Polarizability: 16.61 10-24cm3
Surface Tension: 52.1 dyne/cm
Enthalpy of Vaporization: 48.74 kJ/mol
Boiling Point: 269.7 °C at 760 mmHg
Vapour Pressure of 2-(2-Nitrovinyl)thiophene (CAS NO.874-84-0): 0.0118 mmHg at 25 °C
Canonical SMILES: C1=CSC(=C1)C=C[N+](=O)[O-]
Isomeric SMILES: C1=CSC(=C1)/C=C/[N+](=O)[O-]
InChI: InChI=1S/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
InChIKey: UTPOWFFIBWOQRK-ONEGZZNKSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 315mg/kg (315mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. |
Safety Profile
RTECS: XN0100000
Specification
2-(2-Nitrovinyl)thiophene , its cas register number 874-84-0. It also can be called 1-(2-Thienyl)-2-nitroethene ; 1-Nitro-2-(2-thienyl)ethene ; 1-(2-Thienyl)-2-nitroethene ; 2-(2-Nitroethenyl)thiophene ; Thiophene, 2-(2-nitroethenyl)- (9CI) ; and 2-Thienylnitroethylene .