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Quinoxaline, 6-chloro-

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Name

Quinoxaline, 6-chloro-

EINECS N/A
CAS No. 5448-43-1 Density 1.349 g/cm3
PSA 25.78000 LogP 2.28320
Solubility N/A Melting Point 295℃
Formula C8H5ClN2 Boiling Point 276.9 °C at 760 mmHg
Molecular Weight 164.594 Flash Point 147.9 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-41
Molecular Structure Molecular Structure of 5448-43-1 (6-CHLOROQUINOXALINE) Hazard Symbols IrritantXi
Synonyms

6-Chloroquinoxaline;NSC 17797;

Article Data 2

Quinoxaline, 6-chloro- Specification

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

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