CAS No.46492-08-4,Benz[g]isoquinoline-5,10-dione Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	46492-08-4
Name:	Benz[g]isoquinoline-5,10-dione
Article Data:	13

Formula:	C₁₃H₇NO₂
Molecular Weight:	209.204
Synonyms:	2-Azaanthraquinone;2-Aza-9,10-anthraquinone;
Density:	1.373 g/cm³
Melting Point:	178-180 °C
Boiling Point:	407 °C at 760 mmHg
Flash Point:	202.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	47.03000
LogP:	1.85700

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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