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Benz[g]isoquinoline-5,10-dione

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Name

Benz[g]isoquinoline-5,10-dione

EINECS N/A
CAS No. 46492-08-4 Density 1.373 g/cm3
PSA 47.03000 LogP 1.85700
Solubility N/A Melting Point 178-180 °C
Formula C13H7NO2 Boiling Point 407 °C at 760 mmHg
Molecular Weight 209.204 Flash Point 202.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 46492-08-4 (Benz[g]isoquinoline-5,10-dione) Hazard Symbols IrritantXi
Synonyms

2-Azaanthraquinone;2-Aza-9,10-anthraquinone;

Article Data 13

Benz[g]isoquinoline-5,10-dione Specification

The Benz[g]isoquinoline-5,10-dione, with the CAS registry number 46492-08-4, is also known as 2-Aza-9,10-anthraquinone. This chemical's molecular formula is C13H7NO2 and molecular weight is 209.2. What's more, both its systematic name and IUPAC name are the same which is called Benzo[g]isoquinoline-5,10-dione. In addtion, it is insect teratogen.

Physical properties about Benz[g]isoquinoline-5,10-dione are: (1)ACD/LogP: 2.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.97; (6)ACD/BCF (pH 7.4): 31.97; (7)ACD/KOC (pH 5.5): 415.64; (8)ACD/KOC (pH 7.4): 415.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.03 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 56.75 cm3; (15)Molar Volume: 152.2 cm3; (16)Polarizability: 22.5×10-24 cm3; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.373 g/cm3; (19)Flash Point: 202.1 °C; (20)Enthalpy of Vaporization: 65.89 kJ/mol; (21)Boiling Point: 407 °C at 760 mmHg; (22)Vapour Pressure: 7.77E-07 mmHg at 25  °C.

Preparation of Benz[g]isoquinoline-5,10-dione: this chemical can be prepared by 3-benzoyl-isonicotinic acid. This reaction needs 2 percent oleum. The yield is 34 %. And the reaction equation is as followed:

Benz[g]isoquinoline-5,10-dione can be prepared by 3-benzoyl-isonicotinic acid.

Use of 3-Benzoyl-isonicotinic acid: it is used to produce other chemicals. For example, it is used to produce 5,10-dimethyl-5,10-dihydro-benzo[g]isoquinoline-5,10-diol. The reaction occurs with reagent methyllithium and other condition of -78 °C for 30 mins. The solvents are diethyl ether and tetrahydrofuran. The yield is 44%. And the reaction equation is as followed: 

3-Benzoyl-isonicotinic acid can be used to produce 5,10-Dimethyl-5,10-dihydro-benzo[g]isoquinoline-5,10-diol

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and it may cause inflammation to the skin or other mucous membranes. So you should wear suitable protective clothing. Besides, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccncc1C(=O)c3c2cccc3
(2) InChI: InChI=1/C13H7NO2/c15-12-8-3-1-2-4-9(8)13(16)11-7-14-6-5-10(11)12/h1-7H
(3) InChIKey: ZLLVUAAESHIVAZ-UHFFFAOYAC

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