Ethyl 3-chloroquinoxaline-2-carboxylate supplier

Name
ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE
EINECS
CAS No. 49679-45-0
Article Data15
CAS DataBase
Density 1.341 g/cm³
Solubility
Melting Point 41-42℃
Formula C₁₁H₉ClN₂O₂
Boiling Point 330.7 °C at 760 mmHg
Molecular Weight 236.658
Flash Point 153.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloroquinoxaline-2-carboxylicacid ethyl ester;Ethyl 3-chloroquinoxaline-2-carboxylate;
PSA 52.08000
LogP 2.45990

Ethyl 3-chloroquinoxaline-2-carboxylate Specification

The 2-Quinoxalinecarboxylicacid, 3-chloro-, ethyl ester, with the CAS registry number 49679-45-0, has the systematic name of ethyl 3-chloroquinoxaline-2-carboxylate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₁H₉ClN₂O₂.

The characteristics of 2-Quinoxalinecarboxylicacid, 3-chloro-, ethyl ester are as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.71; (6)ACD/BCF (pH 7.4): 53.71; (7)ACD/KOC (pH 5.5): 602.54; (8)ACD/KOC (pH 7.4): 602.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 61.57 cm³; (15)Molar Volume: 176.3 cm³; (16)Polarizability: 24.41×10^-24cm³; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.341 g/cm³; (19)Flash Point: 153.8 °C; (20)Enthalpy of Vaporization: 57.34 kJ/mol; (21)Boiling Point: 330.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000163 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)c1nc2ccccc2nc1Cl
(2)InChI: InChI=1/C11H9ClN2O2/c1-2-16-11(15)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6H,2H2,1H3
(3)InChIKey: YGTZHKWLTOJGOI-UHFFFAOYAN

Product Name

ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE

Ethyl 3-chloroquinoxaline-2-carboxylate Specification

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