2,3-Quinoxalinedione,1,4-dihydro-6-methoxy- supplier

Name
2,3-DIHYDROXY-6-METHOXYQUINOXALINE
EINECS 608-679-0
CAS No. 31910-18-6
Article Data24
CAS DataBase
Density 1.322 g/cm³
Solubility
Melting Point 350 °C
Formula C₉H₈N₂O₃
Boiling Point 491.1 °C at 760 mmHg
Molecular Weight 192.174
Flash Point 250.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,3-Quinoxalinediol, 6-methoxy- (6CI,8CI);2(1H)-Quinoxalinone,3-hydroxy-6-methoxy- (7CI);6-methoxy-1,4-dihydroquinoxaline-2,3-dione;2,3-quinoxalinediol, 6-methoxy-;2,3-quinoxalinedione, 1,4-dihydro-6-methoxy-;6-methoxy-1,4-dihydroquinoxaline-2,3-dione;6-methoxyquinoxaline-2,3-diol;
PSA 74.95000
LogP 0.22500

2,3-Quinoxalinedione,1,4-dihydro-6-methoxy- Specification

The 2,3-Quinoxalinedione,1,4-dihydro-6-methoxy-, with the CAS registry number 31910-18-6, has the systematic name of 6-methoxy-1,4-dihydroquinoxaline-2,3-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈N₂O₃.

The characteristics of 2,3-Quinoxalinedione,1,4-dihydro-6-methoxy- are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 109.23; (6)ACD/BCF (pH 7.4): 34.33; (7)ACD/KOC (pH 5.5): 969.81; (8)ACD/KOC (pH 7.4): 304.79; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 47.45 cm³; (15)Molar Volume: 145.3 cm³; (16)Polarizability: 18.81×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.322 g/cm³; (19)Flash Point: 250.8 °C; (20)Enthalpy of Vaporization: 78.65 kJ/mol; (21)Boiling Point: 491.1 °C at 760 mmHg; (22)Vapour Pressure: 2.87E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2Nc1c(cc(OC)cc1)NC2=O
(2)InChI: InChI=1/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
(3)InChIKey: CHTYMWBYHAIEOF-UHFFFAOYAM

Product Name

2,3-DIHYDROXY-6-METHOXYQUINOXALINE

2,3-Quinoxalinedione,1,4-dihydro-6-methoxy- Specification

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