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Quinoxaline,2,3,6-trimethyl-

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Name

Quinoxaline,2,3,6-trimethyl-

EINECS 241-618-2
CAS No. 17635-21-1 Density 1.084 g/cm3
PSA 25.78000 LogP 2.55500
Solubility N/A Melting Point 91-94℃
Formula C11H12N2 Boiling Point 277.7 °C at 760 mmHg
Molecular Weight 172.23 Flash Point 113.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17635-21-1 (2,3,6-TRIMETHYLQUINOXALINE) Hazard Symbols N/A
Synonyms

6-Methyl-2,3-dimethylquinoxaline;2,3,6-Trimethylquinoxaline;quinoxaline, 2,3,6-trimethyl-;

Article Data 40

Quinoxaline,2,3,6-trimethyl- Specification

The Quinoxaline,2,3,6-trimethyl-, with the CAS registry number 17635-21-1 and EINECS registry number 241-618-2, has the systematic name and IUPAC name of 2,3,6-trimethylquinoxaline. And the molecular formula of the chemical is C11H12N2.

The characteristics of Quinoxaline,2,3,6-trimethyl- are as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.76; (6)ACD/BCF (pH 7.4): 63.79; (7)ACD/KOC (pH 5.5): 681.2; (8)ACD/KOC (pH 7.4): 681.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 54.75 cm3; (15)Molar Volume: 158.8 cm3; (16)Polarizability: 21.7×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 113.6 °C; (20)Enthalpy of Vaporization: 49.55 kJ/mol; (21)Boiling Point: 277.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00752 mmHg at 25°C. 

Uses of Quinoxaline,2,3,6-trimethyl-: It can be used to produce 2,3,6-trimethyl-5-quinoxalinol. This reaction will need reagent aq. H2SO4. The reaction time is 8 hours, and the yield is about 38%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c2ccc(cc2nc(c1C)C)C
(2)InChI: InChI=1/C11H12N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-6H,1-3H3
(3)InChIKey: GQRWKGBOBWHKHP-UHFFFAOYAX

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