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Cas Database |
| Name |
Bis(4-nitrophenyl) carbonate |
EINECS | 225-775-4 |
| CAS No. | 5070-13-3 | Density | 1.501 g/cm3 |
| PSA | 127.17000 | LogP | 4.12720 |
| Solubility | N/A | Melting Point |
136-139 °C(lit.) |
| Formula | C13H8N2O7 | Boiling Point | 475.9 °C at 760 mmHg |
| Molecular Weight | 304.216 | Flash Point | 217.5 °C |
| Transport Information | N/A | Appearance | white to pale yellow or beige powder |
| Safety | 26-36 | Risk Codes | 36/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Carbonicacid, bis(p-nitrophenyl) ester (6CI,7CI,8CI);4,4'-Dinitrodiphenyl carbonate;Carbonic acid,bis(4-nitrophenyl) ester;Bis(p-nitrophenyl) carbonate;Di-4-nitrophenylcarbonate;Di-p-nitrophenyl carbonate;NSC 1730;p,p'-Dinitrodiphenylcarbonate; |
Article Data | 31 |
Bis(4-nitrophenyl) carbonate Synthetic route
| Conditions | Yield |
|---|---|
| With oxygen; sodium hydrogencarbonate; triethylamine In water for 1h; Irradiation; | 99% |
| With pyridine; oxygen at 30℃; for 6.5h; UV-irradiation; | 39% |
| With oxygen; sodium hydroxide In water at 20℃; for 2h; Irradiation; | 5% |
| Conditions | Yield |
|---|---|
| With mixed-acid; sulfuric acid; nitric acid In cyclohexane; ethyl acetate; nitrobenzene | 94% |
| With nitric acid | |
| With nitric acid In sulfuric acid; water |
- 100-02-7
4-nitro-phenol
- 32315-10-9
bis(trichloromethyl) carbonate
- 5070-13-3
bis-(p-nitrophenyl) carbonate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; dichloromethane at 0℃; for 0.583333h; Inert atmosphere; | 91% |
| With triethylamine In tetrahydrofuran for 2h; | 42% |
- 93350-13-1
3-Hydroxy-3-phenyl-azocan-2-one
- 7693-46-1
4-Nitrophenyl chloroformate
A
- 5070-13-3
bis-(p-nitrophenyl) carbonate
B
- 93350-09-5
1-aza-9,10-dioxo-8-oxa-7-phenylbicyclo<5.2.1>decane
| Conditions | Yield |
|---|---|
| In toluene for 24h; Heating; | A 0.20 g B 90% |
- 7693-46-1
4-Nitrophenyl chloroformate
A
- 5070-13-3
bis-(p-nitrophenyl) carbonate
B
- 173604-87-0
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-nitrophenyl carbonate
| Conditions | Yield |
|---|---|
| With pyridine; hydrogenchloride In sodium hydroxide; chloroform | A 81% B n/a |
| Conditions | Yield |
|---|---|
| In toluene at 60℃; for 3h; | 78% |
| In benzene |
- 7693-46-1
4-Nitrophenyl chloroformate
- 602-09-5
1,1'-bi-2-naphthol
A
- 5070-13-3
bis-(p-nitrophenyl) carbonate
B
- 138537-48-1
3,5-Dioxa-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-one
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 5℃; for 1h; | A n/a B 78% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In toluene at 20℃; for 0.25h; Green chemistry; | 74% |
| With aluminum (III) chloride In toluene at 20℃; for 2h; | 70% |
| Conditions | Yield |
|---|---|
| With pyridine In toluene; benzene | |
| With pyridine In toluene | |
| (i) Py, (ii) /BRN= 1098367/, toluene; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With ethyleneimine; triethylamine In diethyl ether | |
| With pyridine In dichloromethane |
Bis(4-nitrophenyl) carbonate Chemical Properties
Molecule structure of Bis(4-nitrophenyl) carbonate (CAS NO.5070-13-3):
IUPAC Name: Bis(4-nitrophenyl) carbonate
Molecular Weight: 304.21182 g/mol
Molecular Formula: C13H8N2O7
Density: 1.501 g/cm3
Melting Point: 136-139 °C(lit.)
Boiling Point: 475.9 °C at 760 mmHg
Flash Point: 217.5 °C
Index of Refraction: 1.632
Molar Refractivity: 72.3 cm3
Molar Volume: 202.6 cm3
Surface Tension: 63.4 dyne/cm
Enthalpy of Vaporization: 73.95 kJ/mol
Vapour Pressure: 3.19E-09 mmHg at 25 °C
Sensitive: moisture sensitive
XLogP3-AA: 3.3
H-Bond Acceptor: 7
Rotatable Bond Count: 4
Exact Mass: 304.033151
MonoIsotopic Mass: 304.033151
Topological Polar Surface Area: 122
Heavy Atom Count: 22
Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H
InChIKey: ACBQROXDOHKANW-UHFFFAOYSA-N
EINECS: 225-775-4
Product Categories of Bis(4-nitrophenyl) carbonate (CAS NO.5070-13-3): Industrial/Fine Chemicals
Bis(4-nitrophenyl) carbonate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/38
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-21
Bis(4-nitrophenyl) carbonate Specification
Bis(4-nitrophenyl) carbonate (CAS NO.5070-13-3) is also named as 4,4'-Dinitrodiphenyl carbonate ; AI3-14990 ; Bis(p-nitrophenyl) carbonate ; NSC 1730 ; p,p'-Dinitrodiphenylcarbonate . Bis(4-nitrophenyl) carbonate (CAS NO.5070-13-3) is white to pale yellow or beige powder.
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