CAS No.6639-87-8,6-NITROQUINOXALINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6639-87-8
Name:	6-NITROQUINOXALINE
Article Data:	32

Formula:	C₈H₅N₃O₂
Molecular Weight:	175.147
Synonyms:	6-Nitroquinoxaline;NSC 48950;MFCD00462822;
Density:	1.437 g/cm³
Melting Point:	169-171°C
Boiling Point:	341.7 °C at 760 mmHg
Flash Point:	160.5 °C
Hazard Symbols:	Xn
Risk Codes:	22-37/38-41
Safety:	26-39
PSA:	71.60000
LogP:	2.06120

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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