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
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. |
RTECS: XN0100000
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 .
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