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Quinoxaline, 6-nitro-

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Name

Quinoxaline, 6-nitro-

EINECS N/A
CAS No. 6639-87-8 Density 1.437 g/cm3
PSA 71.60000 LogP 2.06120
Solubility N/A Melting Point 169-171°C
Formula C8H5N3O2 Boiling Point 341.7 °C at 760 mmHg
Molecular Weight 175.147 Flash Point 160.5 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 6639-87-8 (6-NITROQUINOXALINE) Hazard Symbols HarmfulXn
Synonyms

6-Nitroquinoxaline;NSC 48950;MFCD00462822;

Article Data 32

Quinoxaline, 6-nitro- Specification

The Quinoxaline, 6-nitro-, with the CAS registry number 6639-87-8, is also known as NSC 48950. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinoxalines. This chemical's molecular formula is C8H5N3O2 and molecular weight is 175.14. What's more, its IUPAC name is 6-nitroquinoxaline.

Physical properties of Quinoxaline, 6-nitro- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.76; (6)ACD/BCF (pH 7.4): 3.76; (7)ACD/KOC (pH 5.5): 89.78; (8)ACD/KOC (pH 7.4): 89.78; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 46.82 cm3; (15)Molar Volume: 121.8 cm3; (16)Polarizability: 18.56×10-24cm3; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 56.23 kJ/mol; (21)Boiling Point: 341.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000156 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. What's more, the product is irritating to respiratory system and skin. It also has the risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When using it, you need wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2nccnc2cc1
(2)Std. InChI: InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H
(3)Std. InChIKey: YLKFDRWBZAALPN-UHFFFAOYSA-N

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