Product Name

  • Name

    (E)-3-phenylprop-2-enoic acid

  • EINECS
  • CAS No. 63938-16-9
  • Density
  • Solubility
  • Melting Point
  • Formula C9H8 O2 . 1/2 Ni
  • Boiling Point 265 c º at 760 mmHg
  • Molecular Weight 353.03
  • Flash Point 189.5 ºC
  • Transport Information
  • Appearance
  • Safety Confirmed human carcinogen. Poison by parenteral route. See also NICKEL COMPOUNDS. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 63938-16-9 ((E)-3-phenylprop-2-enoic acid)
  • Hazard Symbols
  • Synonyms 2-Propenoicacid, 3-phenyl-, nickel(2+) salt (9CI); Nickel cinnamate (7CI)
  • PSA 80.26000
  • LogP 0.89940

Cinnamic acid, nickel(II) salt Chemical Properties

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

Cinnamic acid, nickel(II) salt Toxicity Data With Reference

1.    

par-mus LDLo:40 mg/kg

    CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 7 (1955),687.

Cinnamic acid, nickel(II) salt Consensus Reports

NTP 10th Report on Carcinogens. Nickel and its compounds are on the Community Right-To-Know List.

Cinnamic acid, nickel(II) salt Safety Profile

Confirmed human carcinogen. Poison by parenteral route. See also NICKEL COMPOUNDS. When heated to decomposition it emits acrid smoke and irritating fumes.

Cinnamic acid, nickel(II) salt Standards and Recommendations

NIOSH REL: (Nickel, Inorganic) TWA 0.015 mg(Ni)/m3

Cinnamic acid, nickel(II) salt Specification

  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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