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| CAS No.: | 3638-64-0 |
|---|---|
| Name: | Nitroethylene |
| Molecular Structure: | |
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| Formula: | C2H3NO2 |
| Molecular Weight: | 73.0513 |
| Synonyms: | Ethylene,nitro- (6CI,7CI,8CI);1-Nitroethene;1-Nitroethylene;Nitroethene; |
| Density: | 1.052 g/cm3 |
| Melting Point: | -55.5°C |
| Boiling Point: | 98.5 °C at 760 mmHg |
| Flash Point: | 23.2 °C |
| PSA: | 45.82000 |
| LogP: | 0.92980 |
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| Conditions | Yield |
|---|---|
| With phthalic anhydride at 150 - 180℃; under 80 Torr; | 89% |
| With phthalic anhydride at 180℃; for 3h; Cooling with acetone-dry ice; | 69% |
| With phthalic anhydride at 150 - 180℃; for 23h; Inert atmosphere; Cooling with ice; | 55% |
| Conditions | Yield |
|---|---|
| at 140 - 180℃; under 80 Torr; Heating; | 80% |
| at 175 - 180℃; under 80 Torr; |
| Conditions | Yield |
|---|---|
| With tert.-butylnitrite; silica gel In acetonitrile at 100℃; under 2250.23 Torr; Time; Temperature; Pressure; Microwave irradiation; | 80% |
| With ferric nitrate for 0.5h; Milling; | 80% |
| With Vilsmeier reagent; potassium nitrate In acetonitrile at 20℃; Reagent/catalyst; Temperature; Sonication; | 75% |
- 39221-06-2
1-nitroethanol
- 3638-64-0
1-nitroethylene
| Conditions | Yield |
|---|---|
| With phthalic anhydride In tetrahydrofuran at 130 - 180℃; for 3h; | 69% |
| With phthalic anhydride at 140℃; under 80 Torr; |
| Conditions | Yield |
|---|---|
| Leiten ueber mit Bleisalzen aktiviertes Silicagel; | |
| With lead(IV) tetraacetate; silica gel at 250 - 300℃; | |
| With silica gel; lead(II) oxide at 250 - 300℃; | |
| With lead(II) chromate; silica gel at 250 - 300℃; | |
| beim Leiten ueber einen bleisalzhaltigen Silicagel- oder Aluminiumoxydgel Katalysator; |
| Conditions | Yield |
|---|---|
| at 100℃; |
| Conditions | Yield |
|---|---|
| With ethanol at 100℃; |
| Conditions | Yield |
|---|---|
| at 100℃; unter Ausschluss von Alkali; |
| Conditions | Yield |
|---|---|
| With calcium chloride at 250℃; | |
| With calcium carbonate at 300 - 400℃; | |
| With diethyl ether; sodium acetate |
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Specification
The CAS register number of Nitroethylene is 3638-64-0. It also can be called as Ethene, nitro- and the IUPAC name about this chemical is 1-nitroethene. The molecular formula about this chemical is C2H3NO2.
Physical properties about Nitroethylene are: (1)ACD/LogP: 0.01; (2)ACD/LogD (pH 5.5): 0.01; (3)ACD/LogD (pH 7.4): 0.01 ; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82Å2; (7)Index of Refraction: 1.406; (8)Molar Refractivity: 17.06 cm3; (9)Molar Volume: 69.4 cm3; (10)Polarizability: 6.76x10-24cm3; (11)Surface Tension: 27.7 dyne/cm; (12)Enthalpy of Vaporization: 32.39 kJ/mol; (13)Boiling Point: 98.5 °C at 760 mmHg; (14)Vapour Pressure: 45.8 mmHg at 25°C.
Preparation: this chemical can be prepared by phthalic acid anhydride and 2-nitro-ethanol. The reaction temperature is 140 - 180 ℃. The reaction pressure is 80.
Uses of Nitroethylene: it can be used to produce N-(2-nitro-ethyl)-aniline with aniline at Ambient temperature. This reaction will need solvent benzene with reaction time of 12 hours. The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C[N+](=O)[O-]
(2)InChI: InChI=1/C2H3NO2/c1-2-3(4)5/h2H,1H2
(3)InChIKey: RPMXALUWKZHYOV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
(5)Std. InChIKey: RPMXALUWKZHYOV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 300mg/kg (300mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | National Technical Information Service. Vol. OTS0555773, |