-
Name
METHYL 6-QUINOXALINECARBOXYLATE
- EINECS
- CAS No. 23088-23-5
- Article Data4
- CAS DataBase
- Density 1.272 g/cm3
- Solubility
- Melting Point 99 °C
- Formula C10H8N2O2
- Boiling Point 318.2 °C at 760 mmHg
- Molecular Weight 188.18
- Flash Point 146.3 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
- Synonyms 6-Carbomethoxyquinoxaline;Methyl quinoxaline-6-carboxylate;methyl quinoxaline-6-carboxylate;
- PSA 52.08000
- LogP 1.41640
Methyl 6-quinoxalinecarboxylate Specification
The Methyl 6-quinoxalinecarboxylate, with the CAS registry number 23088-23-5, has the systematic name of methyl quinoxaline-6-carboxylate. And the molecular formula of the chemical is C10H8N2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.95; (6)ACD/BCF (pH 7.4): 5.95; (7)ACD/KOC (pH 5.5): 124.75; (8)ACD/KOC (pH 7.4): 124.75; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 52.05 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 20.63×10-24cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 55.97 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000366 mmHg at 25°C.
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: O=C(OC)c1cc2nccnc2cc1
(2)InChI: InChI=1/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3
(3)InChIKey: VFPWJISMXACHIG-UHFFFAOYAV
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