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3638-64-0

Basic Information
CAS No.: 3638-64-0
Name: Nitroethylene
Article Data: 49
Molecular Structure:
Molecular Structure of 3638-64-0 (Nitroethylene)
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
Synthetic route
625-48-9

2-nitro-1-ethanol

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
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%
85-44-9

phthalic anhydride

625-48-9

2-nitro-1-ethanol

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
at 140 - 180℃; under 80 Torr; Heating;80%
at 175 - 180℃; under 80 Torr;
79-10-7

acrylic acid

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
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
ConditionsYield
With phthalic anhydride In tetrahydrofuran at 130 - 180℃; for 3h;69%
With phthalic anhydride at 140℃; under 80 Torr;
50-00-0

formaldehyd

75-52-5

nitromethane

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
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;
60-29-7

diethyl ether

625-47-8

1-chloro-2-nitroethane

127-09-3

sodium acetate

3638-64-0

1-nitroethylene

4528-34-1

2-nitroethanol nitrate

64-17-5

ethanol

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
at 100℃;
4528-34-1

2-nitroethanol nitrate

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
With ethanol at 100℃;
64-17-5

ethanol

7570-26-5

1,2-dinitroethane

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
at 100℃; unter Ausschluss von Alkali;
625-47-8

1-chloro-2-nitroethane

3638-64-0

1-nitroethylene

Conditions
ConditionsYield
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,