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| CAS No.: | 4199-88-6 |
|---|---|
| Name: | 5-Nitro-1,10-phenanthroline |
| Article Data: | 40 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H7N3O2 |
| Molecular Weight: | 225.206 |
| Synonyms: | 5-Nitro-1,10-phenanthroline;5-Nitro-o-phenanthroline;NSC 4263; |
| EINECS: | 224-097-6 |
| Density: | 1.444 g/cm3 |
| Melting Point: | 202-204 ºC (lit.) |
| Boiling Point: | 444ºC at 760 mmHg |
| Flash Point: | 222.3 ºC |
| Solubility: | insoluble |
| Appearance: | Pale yellow or brown solid |
| Hazard Symbols: |
 Xn Xi
|
| Risk Codes: | R36/37/38-40 |
| Safety: | S26-36-24/25-22 |
| PSA: | 71.60000 |
| LogP: | 3.21440 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 160℃; for 3h; | 100% |
| With sulfuric acid; nitric acid at 160℃; | 99% |
| With sulfuric acid; nitric acid at 160℃; for 3h; | 99% |
- 630067-06-0
1,10-phenanthroline-5-carboxylic acid
- 4199-88-6
5-Nitro-1,10-phenanthroline
| Conditions | Yield |
|---|---|
| With nitronium tetrafluoborate; silver carbonate In N,N-dimethyl acetamide at 90℃; for 12h; Inert atmosphere; Schlenk technique; regioselective reaction; | 81% |
- 66-71-7
1,10-Phenanthroline
A
- 27318-90-7
1,10-phenanthroline-5,6-dione
B
- 4199-88-6
5-Nitro-1,10-phenanthroline
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid for 1.5h; Heating; | A 20% B 18.7 g |
| Conditions | Yield |
|---|---|
| With sulfuric acid; orthoarsenic acid |
- 66-71-7
1,10-Phenanthroline
- 7664-93-9
sulfuric acid
- 7446-11-9
sulfur trioxide
- 7697-37-2
nitric acid
A
- 50890-67-0
4,5-Diazafluoren-9-one
B
- 4199-88-6
5-Nitro-1,10-phenanthroline
| Conditions | Yield |
|---|---|
| at 170℃; |
- 66-71-7
1,10-Phenanthroline
- 7664-93-9
sulfuric acid
- 7446-11-9
sulfur trioxide
- 7697-37-2
nitric acid
A
- 27318-90-7
1,10-phenanthroline-5,6-dione
B
- 4199-88-6
5-Nitro-1,10-phenanthroline
| Conditions | Yield |
|---|---|
| at 170℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: glycerol; H3aso4; aqueous H2SO4 2: H2SO4; concentrated HNO3 View Scheme |
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid | 1.49 g (42%) |
- 4199-88-6
5-Nitro-1,10-phenanthroline
- 54258-41-2
1,10-phenanthroline-5-amine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol under 2280.15 Torr; for 1h; | 100% |
| With 10% Pd/C; hydrogen In methanol under 2280.15 Torr; for 1h; | 100% |
| With hydrazine hydrate; palladium 10% on activated carbon In ethanol for 4h; Reflux; | 98% |
- 34035-97-7
ammonium pertechnetate
- 4199-88-6
5-Nitro-1,10-phenanthroline
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol 5-nitro-1,10-phenanthroline dissolved in MeOH by gentle heating, cooled to ambient temp., addn. of Tc-compd. with stirring, dropwise addn. of concd. HCl; cooled to -20°C, ppt. collected, washed with MeOH, dried in vac. overnight; elem. anal.; | 99% |
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Chemistry
The Molecular Structure of 1,10-Phenanthroline, 5-nitro- (CAS NO.4199-88-6):
Empirical Formula: C12H7N3O2
Molecular Weight: 225.2029
IUPAC: 5-nitro-1,10-phenanthroline
Appearance: Light yellow to yellow-brown crystalline powder
Nominal Mass: 225 Da
Average Mass: 225.2029 Da
Monoisotopic Mass: 225.053826 Da
Index of Refraction: 1.767
Molar Refractivity: 64.66 cm3
Molar Volume: 155.9 cm3
Surface Tension: 74.8 dyne/cm
Density: 1.444 g/cm3
Flash Point: 222.3 °C
Enthalpy of Vaporization: 67.47 kJ/mol
Boiling Point: 444 °C at 760 mmHg
Vapour Pressure: 1.16E-07 mmHg at 25°C
log P (octanol-water): 2.110
Water Solubility: 27.3 mg/L at 25°C
Atmospheric OH Rate Constant: 2.50E-13 cm3/molecule-sec at 25°C
InChI
InChI=1/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
Smiles
[N+](c1c2c(nccc2)c2c(c1)cccn2)([O-])=O
Synonyms: EINECS 224-097-6
Safety Profile
Hazard Codes: 
Xi
Xn
Risk Statements: 36/37/38-40
R36/37/38:Irritating to eyes, respiratory system and skin
R40:Limited evidence of a carcinogenic effect
Safety Statements: 26-36-24/25-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
S24/25:Avoid contact with skin and eyes
S22:Do not breathe dust
WGK Germany: 3
Specification
1,10-Phenanthroline, 5-nitro- (CAS NO.4199-88-6) is also called as 5-Nitro-1, 10-diazaphenanthrene ; 5-Nitro-1,10-phenanthroline ; EINECS 224-097-6 ; NSC 4263 .