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CAS No.: | 6309-61-1 |
---|---|
Name: | 1,4-DIHYDRO-6-METHYLQUINOXALINE-2,3-DIONE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.175 |
Synonyms: | 1,4-Dihydro-6-methylquinoxaline-2,3-dione;2,3-Dihydroxy-6-methylquinoxaline;6-Methyl-1,4-dihydroquinoxaline-2,3-dione;NSC 41606; |
EINECS: | 228-628-2 |
Density: | 1.28 g/cm3 |
Melting Point: | 112 °C |
Boiling Point: | 467 °C at 760 mmHg |
Flash Point: | 236.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 66.24000 |
LogP: | 1.34940 |
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The CAS register number of 2,3-Quinoxalinedione,1,4-dihydro-6-methyl- is 6309-61-1. It also can be called as 1,4-Dihydro-6-methylquinoxaline-2,3-dione and the systematic name about this chemical is 6-methyl-1,4-dihydroquinoxaline-2,3-dione. The molecular formula about this chemical is C9H8N2O2 and the molecular weight is 176.17.
Physical properties about 2,3-Quinoxalinedione,1,4-dihydro-6-methyl- are: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/BCF (pH 7.4): 1.87; (6)ACD/KOC (pH 5.5): 54.46; (7)ACD/KOC (pH 7.4): 54.4; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 45.59 cm3; (13)Molar Volume: 137.5 cm3; (14)Polarizability: 18.07x10-24cm3; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.28 g/cm3; (17)Flash Point: 236.2 °C; (18)Enthalpy of Vaporization: 75.68 kJ/mol; (19)Boiling Point: 467 °C at 760 mmHg; (20)Vapour Pressure: 2.42E-09 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1c(cc(cc1)C)NC2=O
(2)InChI: InChI=1/C9H8N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
(3)InChIKey: HOHZZPCLZWZMOM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
(5)Std. InChIKey: HOHZZPCLZWZMOM-UHFFFAOYSA-N