1,3,5-Cyclohexanetrione, 1,3,5-trioxime supplier

Name
1,3,5-trihydroxyamino-benzene
EINECS
CAS No. 621-22-7
Article Data6
CAS DataBase
Density 1.6 g/cm³
Solubility
Melting Point
Formula C₆H₆(NHOH)₃
Boiling Point 491 °C at 760 mmHg
Molecular Weight 171.156
Flash Point 326.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,5-Cyclohexanetrione,trioxime (7CI,9CI);NSC 24932;Phloroglucinol trioxime;N-[3,5-Bis(hydroxyimino)cyclohexylidene]hydroxylamine;Cyclohexane-1,3,5-trione oxime;
PSA 97.77000
LogP 0.66090

1,3,5-Cyclohexanetrione, 1,3,5-trioxime Specification

The 1,3,5-Cyclohexanetrione,1,3,5-trioxime, with the CAS registry number 621-22-7, is also known as Phloroglucinol trioxime. This chemical's molecular formula is C₆H₆(NHOH)₃ and molecular weight is 171.15. What's more, its systematic name is N,N',N''-trihydroxycyclohexane-1,3,5-triimine.

Physical properties of 1,3,5-Cyclohexanetrione,1,3,5-trioxime are: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 64.77 Å²; (7)Index of Refraction: 1.66; (8)Molar Refractivity: 39.36 cm³; (9)Molar Volume: 106.5 cm³; (10)Polarizability: 15.6×10^-24cm³; (11)Surface Tension: 69.3 dyne/cm; (12)Density: 1.6 g/cm³; (13)Flash Point: 326.5 °C; (14)Enthalpy of Vaporization: 82.96 kJ/mol; (15)Boiling Point: 491 °C at 760 mmHg; (16)Vapour Pressure: 5.55E-11 mmHg at 25°C.

Uses of 1,3,5-Cyclohexanetrione,1,3,5-trioxime: it can be used to produce 1,3,5-tris(N,O-diacetylhydroxyamino)benzene at the ambient temperature. It will need reagent conc. H₂SO₄ and solvent acetic acid with the reaction time of 20 hours. The yield is about 50%.

1,3,5-Cyclohexanetrione,1,3,5-trioxime can be used to produce 1,3,5-tris(N,O-diacetylhydroxyamino)benzene at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: N(/O)=C1/CC(=N\O)\C\C(=N\O)C1
(2)Std. InChI: InChI=1S/C6H9N3O3/c10-7-4-1-5(8-11)3-6(2-4)9-12/h10-12H,1-3H2/b7-4-,8-5+,9-6-
(3)Std. InChIKey: VTKZVIHFILGZMF-KBSGQIHZSA-N

Product Name

1,3,5-trihydroxyamino-benzene

1,3,5-Cyclohexanetrione, 1,3,5-trioxime Specification

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