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Cas Database |
| Name |
6-Nitroquinoline |
EINECS | 210-346-6 |
| CAS No. | 613-50-3 | Density | 1.354 g/cm3 |
| PSA | 58.71000 | LogP | 2.66620 |
| Solubility | Slightly soluble in water | Melting Point |
151-153 °C(lit.) |
| Formula | C9H6N2O2 | Boiling Point | 335.4 °C at 760 mmHg |
| Molecular Weight | 174.159 | Flash Point | 156.7 °C |
| Transport Information | N/A | Appearance | beige to light brown powder |
| Safety | 7-22-36-45 | Risk Codes | 20/21/22-40 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
NSC 4141; |
Article Data | 42 |
6-Nitroquinoline Synthetic route
| Conditions | Yield |
|---|---|
| With Tris(3,6-dioxaheptyl)amine; sodium nitrite; tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos In tert-butyl alcohol at 130℃; for 24h; Product distribution / selectivity; Inert atmosphere; | 97% |
| With tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; tris(3,5-dioxaheptyl)amine; sodium nitrite In tert-butyl alcohol at 130℃; for 24h; regioselective reaction; | 97% |
- 173089-80-0
quinolin-6-yl triflate
- 613-50-3
6-nitroquinoline
| Conditions | Yield |
|---|---|
| With Tris(3,6-dioxaheptyl)amine; sodium nitrite; tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos In tert-butyl alcohol at 130℃; for 24h; Product distribution / selectivity; Inert atmosphere; | 94% |
| With tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; tris(3,5-dioxaheptyl)amine; sodium nitrite In tert-butyl alcohol at 130℃; for 24h; regioselective reaction; | 94% |
- 14026-45-0
6-nitro-1,2,3,4-tetrahydroquinoline
- 613-50-3
6-nitroquinoline
| Conditions | Yield |
|---|---|
| With perylene diimide covalent immobilized to SiO2 nanospheres; air In N,N-dimethyl acetamide at 20℃; UV-irradiation; | 91% |
| With iron oxide surrounded by nitrogen doped graphene shell immobilized on carbon support In acetonitrile at 100℃; under 11251.1 Torr; for 24h; Autoclave; | 89% |
| With hexagonal boron carbon nitride In water at 25℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation; | 89% |
| Conditions | Yield |
|---|---|
| With potassium nitrite; copper(II) bis(trifluoromethanesulfonate) In dimethyl sulfoxide at 130℃; for 48h; Inert atmosphere; Sealed tube; regioselective reaction; | 82% |
| With potassium nitrite; basolite C300 In dimethyl sulfoxide at 130℃; for 48h; Inert atmosphere; | 78% |
- 13675-92-8
6-nitroquinoline-N-oxide
- 613-50-3
6-nitroquinoline
| Conditions | Yield |
|---|---|
| With tris(bipyridine)ruthenium(II) dichloride hexahydrate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 0.0833333h; Inert atmosphere; Irradiation; chemoselective reaction; | 73% |
- 75077-46-2
4-nitro-N-2-propynylbenzenamine
- 613-50-3
6-nitroquinoline
| Conditions | Yield |
|---|---|
| In 1,2-dichloro-ethane at 70℃; for 72h; Sealed tube; | 57% |
| Conditions | Yield |
|---|---|
| With arsenic(III) trioxide Skraup reaction; | 47% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; iodine at 160 - 170℃; for 2h; Cycloaddition; Aromatization; | 18.3% |
| With sulfuric acid; nitrobenzene | |
| With sulfuric acid; orthoarsenic acid | |
| With sulfuric acid; vanadia; sodium 3-nitrobenzenesulfonate at 145℃; | |
| With sulfuric acid In water at 36 - 200℃; for 0.25h; Microwave irradiation; Green chemistry; |
- 20377-02-0
6-azidoquinoline
A
- 613-50-3
6-nitroquinoline
B
- 1382859-30-4
3-nitrosoindolizine-8-carbaldehyde
C
- 1382859-31-5
C18H12N4O4
| Conditions | Yield |
|---|---|
| With oxygen In acetonitrile at 20℃; Irradiation; | A 14% B n/a C n/a |
| With oxygen In acetonitrile at 19.84℃; Irradiation; | A 14% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide; acetic acid und Natriumnitrit; |
6-Nitroquinoline Chemical Properties
IUPAC Name: 6-Nitroquinoline
Synonyms: 6-Nitroquinoline ; 6-Nitro-quinolin ; Quinoline,6-nitro- ; 6-Nitroquinoline98% ; 6-Nitrochinolin ; 6-Nitro Quinoline - 50g
Product Categories: Nitroquinolines;Quinolines;Building Blocks;Heterocyclic Building Blocks
Molecular Structure of 6-Nitroquinoline (CAS NO.613-50-3) : 
Molecular Formula of 6-Nitroquinoline (CAS NO.613-50-3) : C9H6N2O2
Molecular Weight of 6-Nitroquinoline (CAS NO.613-50-3) : 174.16
CAS NO: 613-50-3
EINECS: 210-346-6
BRN : 136138
Index of Refraction: 1.682
Surface Tension: 61.8 dyne/cm
Density: 1.354 g/cm3
Flash Point: 156.7 °C
Enthalpy of Vaporization: 55.56 kJ/mol
Boiling Point: 335.4 °C at 760 mmHg
Vapour Pressure: 0.000233 mmHg at 25°C
Melting point 151-153 ºC
Appearance:beige to light brown powder
6-Nitroquinoline Uses
6-Nitroquinoline (CAS NO.613-50-3) is used in organic synthesis.
6-Nitroquinoline Production
With P-Nitroaniline as raw materials, condensation with Acrolein, after cyclization,obtainedof 6-Nitroquinoline (CAS NO.613-50-3), or cyclization with the glycerol,obtained of 6-Nitroquinoline (CAS NO.613-50-3).
6-Nitroquinoline Toxicity Data With Reference
| 1. | mma-sat 100 µmol/plate | MUREAV Mutation Research. 58 (1978),11. | ||
| 2. | mmo-esc 5700 nmol/L | ENMUDM Environmental Mutagenesis. 3 (1981),11. |
6-Nitroquinoline Safety Profile
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also 2-NITROQUINOLINE; 5-NITROQUINOLINE; 8-NITROQUINOLINE; 4-NITROQUINOLINE-N-OXIDE.
Hazard Codes 
Xn
Risk Statements 20/21/22-40
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R40:Limited evidence of a carcinogenic effect.
Safety Statements 7-22-36-45
S7:Keep container tightly closed.
S22:Do not breathe dust.
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany 3
RTECS VC1900000
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