Molecular Structure of Cinnamic acid, nickel(II) salt (CAS NO. 63938-16-9):
IUPAC Name: Nickel(2+); (E)-3-phenylprop-2-enoate
Molecular Formula: C18H14NiO4
Molecular Weight: 352.994760 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 4
Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)[O-].C1=CC=C(C=C1)C=CC(=O)[O-].[Ni+2]
Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)[O-].C1=CC=C(C=C1)/C=C/C(=O)[O-].[Ni+2]
InChI: 1S/2C9H8O2.Ni/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/q;;+2/p-2/b2*7-6+;
InChIKey: IRVWXMZGFMXUGW-RWUXNGIBSA-L
Flash Point: 189.5 °C
Enthalpy of Vaporization: 53.13 kJ/mol
Boiling Point: 265 °C at 760 mmHg
Vapour Pressure of Cinnamic acid, nickel(II) salt (CAS NO. 63938-16-9): 0.00471 mmHg at 25 °C
1. | par-mus LDLo:40 mg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 7 (1955),687. |
NTP 10th Report on Carcinogens. Nickel and its compounds are on the Community Right-To-Know List.
Confirmed human carcinogen. Poison by parenteral route. See also NICKEL COMPOUNDS. When heated to decomposition it emits acrid smoke and irritating fumes.
NIOSH REL: (Nickel, Inorganic) TWA 0.015 mg(Ni)/m3
Cinnamic acid, nickel(II) salt with cas registry number of 63938-16-9 is also known as Nickel cinnamate ; Nickel(2+) 3-Phenyl-2-propenoate ; 2-Propenoic acid, 3-phenyl-, nickel(2+) salt (9CI) .
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