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CAS No.: | 5448-43-1 |
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Name: | 6-CHLOROQUINOXALINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H5ClN2 |
Molecular Weight: | 164.594 |
Synonyms: | 6-Chloroquinoxaline;NSC 17797; |
Density: | 1.349 g/cm3 |
Melting Point: | 295℃ |
Boiling Point: | 276.9 °C at 760 mmHg |
Flash Point: | 147.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-41 |
Safety: | 26 |
PSA: | 25.78000 |
LogP: | 2.28320 |
The Quinoxaline, 6-chloro-, with the CAS registry number 5448-43-1, is also known as NSC17797. It belongs to the product category of Quinolines, Quinazolines and derivatives. This chemical's molecular formula is C8H5ClN2 and molecular weight is 164.59. Its IUPAC name is called 6-chloroquinoxaline. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Quinoxaline, 6-chloro-: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.23; (6)ACD/BCF (pH 7.4): 23.23; (7)ACD/KOC (pH 5.5): 330.67; (8)ACD/KOC (pH 7.4): 330.67; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.662; (11)Molar Refractivity: 45.17 cm3; (12)Molar Volume: 121.9 cm3; (13)Surface Tension: 57.1 dyne/cm; (14)Density: 1.349 g/cm3; (15)Flash Point: 147.9 °C; (16)Enthalpy of Vaporization: 49.47 kJ/mol; (17)Boiling Point: 276.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00788 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-chloro-benzene-1,2-diamine and 1,2-dihydroxy-ethane-1,2-disulfonic acid; disodium salt. This reaction will need reagent sodium acetate, aqueous acetic acid.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=NC=CN=C2C=C1Cl
(2)InChI: InChI=1S/C8H5ClN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
(3)InChIKey: HOOMNCITVCXDTR-UHFFFAOYSA-N