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CAS No.: | 58590-56-0 |
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Name: | 7,8-dichlorobenzo[g]pteridine-2,4(1H,3H)-dione |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H4Cl2N4O2 |
Molecular Weight: | 283.073 |
Density: | 1.707 g/cm3 |
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The CAS registry number of Benzo[g]pteridine-2,4(1H,3H)-dione,7,8-dichloro- is 58590-56-0. This chemical's molecular formula is C10H4Cl2N4O2 and molecular weight is 283.0704. What's more, its systematic name is called 7,8-Dichlorobenzo[g]pteridine-2,4(1H,3H)-dione.
Physical properties about this chemical are: (1)ACD/LogP: 1.11; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1.71; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 39.74; (8)ACD/KOC (pH 7.4): 1.77; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 64.58 cm3; (15)Molar Volume: 165.7 cm3; (16)Polarizability: 25.6×10-24 cm3; (17)Surface Tension: 76 dyne/cm; (18)Density: 1.707 g/cm3.
Preparation of Benzo[g]pteridine-2,4(1H,3H)-dione,7,8-dichloro-: this chemical can be prepared by Pyrimidinetetraone and 4,5-Dichloro-benzene-1,2-diamine.
This reaction needs reagent Boric acid and solvent Acetic acid react at ambient temperature. The yield is 85 %.
Uses of Benzo[g]pteridine-2,4(1H,3H)-dione,7,8-dichloro-: it is used to produce other chemicals. For example, it is used to produce 2-Amino-6,7-dichloroquinoxaline.
The reaction occurs with reagent H2SO4. This reaction will occur at temperature of 240 °C for 10 mins. The yield is 48 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2c(Cl)cc1nc3C(=O)NC(=O)Nc3nc1c2
(2) InChI: InChI=1/C10H4Cl2N4O2/c11-3-1-5-6(2-4(3)12)14-8-7(13-5)9(17)16-10(18)15-8/h1-2H,(H2,14,15,16,17,18)
(3) InChIKey: AXUFSJZRCPNZIQ-UHFFFAOYAH