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CAS No.: | 41959-35-7 |
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Name: | 6-NITRO-1,2,3,4-TETRAHYDRO QUINOXALINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H9N3O2 |
Molecular Weight: | 179.18 |
Synonyms: | 6-Nitro-1, 2, 3, 4-tetrahydroquinoxaline; |
EINECS: | 414-270-6 |
Density: | 1.278 g/cm3 |
Boiling Point: | 360.328 °C at 760 mmHg |
Flash Point: | 171.72 °C |
Hazard Symbols: | Xn, N |
Risk Codes: | 22-51/53 |
Safety: | 22-61 |
PSA: | 69.88000 |
LogP: | 2.23140 |
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The Tetrahydro-6-nitroquinoxaline, with the CAS registry number of 41959-35-7, is also known as Quinoxaline, 1, 2, 3, 4-tetrahydro-6-nitro-. It belongs to the product categories of Piperidine; Pharmacetical. Its EINECS registry number is 414-270-6. This chemical's molecular formula is C8H9N3O2 and molecular weight is 179.18. What's more, its systematic name is called 6-Nitro-1, 2, 3, 4-tetrahydroquinoxaline.
Physical properties about Tetrahydro-6-nitroquinoxaline are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.88 Å2; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 47.057 cm3; (9)Molar Volume: 140.171 cm3; (10)Surface Tension: 50.993 dyne/cm; (11)Density: 1.278 g/cm3; (12)Flash Point: 171.72 °C; (13)Enthalpy of Vaporization: 60.603 kJ/mol; (14)Boiling Point: 360.328 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. In addition, this chemical is toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. Besides, the dust of this chemical can not be breathed. And you can not release it to the environment.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2c(c1)NCCN2
(2) InChI: InChI=1/C8H9N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-2,5,9-10H,3-4H2
(3) InChIKey: ZVDCYZVYRXZJQF-UHFFFAOYAT