CAS No.1015-89-0,6(5H)-Phenanthridone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1015-89-0
Name:	6(5H)-Phenanthridone
Article Data:	174

Formula:	C₁₃H₉NO
Molecular Weight:	195.221
Synonyms:	5H-Phenanthridin-6-one;6-Phenanthridinol;6-Phenanthridinone;6-Phenanthridone;NSC 11021;NSC 40943;NSC 61083;PJ 97A;WD 99-004344;
EINECS:	213-804-3
Density:	1.231 g/cm³
Melting Point:	290-292 °C(lit.)
Boiling Point:	274.843 °C at 760 mmHg
Flash Point:	158.663 °C
Solubility:	Soluble in DMSO (5 mg/ml). Insoluble in water.
Safety:	22-24/25
PSA:	32.86000
LogP:	2.68130

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Specification

The CAS register number of 6(5H)-Phenanthridone is 1015-89-0. It also can be called as Phenanthridin-6(5H)-one and the IUPAC name about this chemical is 5H-phenanthridin-6-one. The molecular formula about this chemical is C₁₃H₉NO and molecular weight is 195.22. It belongs to the following product categories, such as Heterocyclic Building Blocks; N-Containing; Others and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 6(5H)-Phenanthridone are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 9.189; (5)ACD/BCF (pH 7.4): 9.189; (6)ACD/KOC (pH 5.5): 170.261; (7)ACD/KOC (pH 7.4): 170.261; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1Å²; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 57.274 cm³; (13)Molar Volume: 158.602 cm³; (14)Polarizability: 22.705x10^-24cm³; (15)Surface Tension: 48.18 dyne/cm; (16)Enthalpy of Vaporization: 51.326 kJ/mol; (17)Boiling Point: 274.843 °C at 760 mmHg; (18)Vapour Pressure: 0.005 mmHg at 25°C.

Preparation: this chemical can be prepared by fluoren-9-one oxime. This reaction will need reagent Polyphosphoric acid and solvent xylene. The reaction time is 3 hour(s) with reaction temperature of 150 ℃. The yield is about 94%.

Uses of 6(5H)-Phenanthridone: it can be used to produce 6-bromo-phenanthridine at temperature of 200 ℃. This reaction will need reagent phosphoryl bromide and phosphorus (III)-bromide.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c3ccccc3[nH]c2=O
(2)InChI: InChI=1/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
(3)InChIKey: RZFVLEJOHSLEFR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
(5)Std. InChIKey: RZFVLEJOHSLEFR-UHFFFAOYSA-N