IUPAC Name: 4-nitrophenolate; tin(2+)
Empirical Formula: C6H4NO3Sn
Molecular Weight: 256.8103g/mol
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 0
Exact Mass: 257.921315
MonoIsotopic Mass: 257.921315
Topological Polar Surface Area: 66.2
Heavy Atom Count: 11
Formal Charge: 1
Complexity: 123
Flash Point: 141.9 °C
Enthalpy of Vaporization: 53.85 kJ/mol
Boiling Point: 279 °C at 760 mmHg
Vapour Pressure: 0.00243 mmHg at 25°C
Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])[O-].[Sn+2]
InChI: InChI=1S/C6H5NO3.Sn/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+2/p-1
InChIKey: AJECNOLXAVPEFR-UHFFFAOYSA-M
Structure of p-Nitrophenol tin(II) salt (CAS NO.57936-22-8):
1. | ipr-rat LDLo:250 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),36. |
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Sn.
ACGIH TLV: TWA 2 mg(Sn)/m3
p-Nitrophenol tin(II) salt , its cas register number is 57936-22-8. It also can be called Phenol, p-nitro-, tin(II) salt . When heated to decomposition it emits toxic vapors of NOx and Sn.
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