1,1-Dinitroethane supplier

Name
1,1-DINITROETHANE
EINECS
CAS No. 600-40-8
Article Data44
CAS DataBase
Density 1.372g/cm³
Solubility
Melting Point 39.5°C (estimate)
Formula C₂H₄N₂O₄
Boiling Point 185.5°Cat760mmHg
Molecular Weight 120.065
Flash Point 79°C
Transport Information
Appearance
Safety A poison by intraperitoneal route. An unstable solid forbidden for transport. When heated to decomposition it emits toxic vapors of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1-dinitro-ethane;Ethane, 1,1-dinitro-;Ethane,1,1-dinitro;1,1-Dinitro-aethan;gem-dinitroethane;aci-Dinitroaethan;
PSA 91.64000
LogP 0.93220

Synthetic route

: 5432-38-2
1,1-dinitrobromoethane

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With sodium thiophenolate In N,N-dimethyl-formamide Irradiation;	89%
With ethanol; hydrazine

: nitroform potassium salt

: 74-88-4
methyl iodide

A: 600-40-8
1,1-dinitroethane

B: 595-86-8
1,1,1-trinitroethane

Conditions

Conditions	Yield
15-crown-5 at 20℃; Yield given;	A n/a B 79%
15-crown-5 at 20℃; Yields of byproduct given;	A n/a B 79%

...Expand

: 79-24-3
Nitroethane

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With sodium hydroxide; sodium persulfate; potassium hexacyanoferrate(III); sodium nitrite In dichloromethane at 25℃; for 1h;	60%
at 37℃; for 8h; 2-nitropropane oxidase;
With sodium hydroxide; sodium nitrite In dichloromethane; water at 8 - 10℃; Electrochemical reaction;	35 % Turnov.

: 2517-91-1
1,1-dinitroethane potassium salt

A: 600-40-8
1,1-dinitroethane

B: 2972-95-4
1-chloro-1,1-dinitro-ethane

C: 595-86-8
1,1,1-trinitroethane

D: 64-19-7
acetic acid

Conditions

Conditions	Yield
With xenon difluoride; water; dinitrogen tetraoxide In dichloromethane for 8h; Ambient temperature; Further byproducts given;	A 56.1% B 12.1 % Chromat. C 22.0 % Chromat. D 2.3 % Chromat.
With xenon difluoride; water; dinitrogen tetraoxide In dichloromethane for 8h; Ambient temperature; Further byproducts given;	A 56.1 % Chromat. B 12.1 % Chromat. C 22% D 2.3 % Chromat.

...Expand

: 2517-91-1
1,1-dinitroethane potassium salt

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane at 20℃; for 1h;	36%

: 78743-51-8
phenyl 1,1-dinitroethyl selenide

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane at 20℃; for 1h; Product distribution;	36%

: 79-24-3
Nitroethane

A: 10557-82-1
3,4,5-trimethylisoxazole

B: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With sodium hydroxide; ammonium persulfate; sodium nitrite In water at 0 - 10℃; for 1h;	A 35% B 15%

: 37771-53-2
1,1-Dinitroethyl-phenyl-sulfid

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane at 20℃; for 1h; Product distribution;	28%

: C2H3KN2O2

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With sulfuric acid; HO5S(1-)*K(1+); dihydrogen peroxide In water at -10 - 20℃;	11%

: 110-89-4
piperidine

: 60-29-7
diethyl ether

: 5432-38-2
1,1-dinitrobromoethane

: 600-40-8
1,1-dinitroethane

...Expand

: 609-14-3
2-acetylpropanoic acid ethyl ester

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: 565-69-5
ethyl isopropyl ketone

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: 623-56-3
5-methyl-3-hexanone

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: ethylnitrolic acid

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: 64-17-5
ethanol

: 5432-38-2
1,1-dinitrobromoethane

: 996-82-7
sodium diethylmalonate

: 600-40-8
1,1-dinitroethane

...Expand

: 64-17-5
ethanol

: 5-methyl-2,2-dinitro-hexan-3-one

A: 503-74-2
3-methylbutyric acid

B: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
beim Kochen;

...Expand

: 584-02-1
2-pentanol

A: 600-14-6
2,3-Pentanedione

B: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: 589-38-8
n-hexan-3-one

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: 96-22-0
pentan-3-one

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: 78-93-3
butanone

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With nitric acid

: 78-92-2, 15892-23-6
iso-butanol

A: 600-40-8
1,1-dinitroethane

B: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
With nitric acid

: 12281-47-9
silver dinitromethanide

: 74-88-4
methyl iodide

: 600-40-8
1,1-dinitroethane

: 595-86-8
1,1,1-trinitroethane

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With potassium iodide In methanol

: 16454-39-0
3,3-dinitro-butan-2-ol

A: 600-40-8
1,1-dinitroethane

B: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
With water at 25℃; Equilibrium constant; Rate constant;

: 31058-71-6
1-chloro-3,3-dinitro-butan-2-ol

A: 107-20-0
2-chloroethanal

B: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With water at 25℃; Equilibrium constant; Rate constant;

: 79-24-3
Nitroethane

: 509-14-8
tetranitromethane

A: 517-25-9
trinitromethane

B: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With hydroxide In ethanol at 25℃; Rate constant; Mechanism; Product distribution; var. pH, aerobic cond., deoxygenated solution, presence of inhibitor;

...Expand

: 79-24-3
Nitroethane

A: 600-40-8
1,1-dinitroethane

B: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
at 37℃; for 8h; Mechanism; 2-nitropropane oxidase, potassium phosphate buffer (pH 8.0);

: 598-92-5
1-chloro-1-nitroethane

: 600-40-8
1,1-dinitroethane

Conditions

Conditions	Yield
With sodium hydroxide; sodium persulfate; sodium nitrite Rate constant; Kinetics; KOH, K2S2O8, KNO2; presence of 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl.;
With potassium hydroxide; dipotassium peroxodisulfate; sodium nitrite In water at 30℃; Rate constant; Mechanism; various concentration of potassium persulfate;
With sodium nitrite at 30℃; for 0.233333h; Rate constant; Mechanism; influence of superoxidedismutase and hydroquinone on the accumulation of 1,1-dinitroethane; var. time;
With potassium hydroxide; dipotassium peroxodisulfate; sodium nitrite In water at 30℃; Yield given;

: 598-92-5
1-chloro-1-nitroethane

A: 600-40-8
1,1-dinitroethane

B: 28103-68-6
2,3-Dinitro-2-butene

C: 75-07-0
acetaldehyde

D: 64-19-7
acetic acid

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; potassium nitrite In water at 30℃; Product distribution; Rate constant; Mechanism; var. conc., var. pH, with or without presence of dissolved O2, without K2S2O8;

...Expand

: 50-00-0
formaldehyd

: 600-40-8
1,1-dinitroethane

: 156-87-6
propan-1-ol-3-amine

: 3-(2,2-dinitropropyl)tetrahydro-1,3-oxazine

Conditions

Conditions	Yield
In water at 20℃; for 2h;	96%

...Expand

: 600-40-8
1,1-dinitroethane

: 768-03-6
Phenyl vinyl ketone

: 36429-12-6
2,2-dinitro-5-phenyl-5-pentanone

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol at 20 - 25℃; for 48h; 1.) 20 deg C, 15 min, 2.) from 65 to 70 deg C, 3 h;	90%
With sodium ethanolate

: 141-32-2
acrylic acid n-butyl ester

: 600-40-8
1,1-dinitroethane

: 1429122-80-4
butyl 4,4-dinitropentanoate

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 20℃; for 3h;	87%

: 600-40-8
1,1-dinitroethane

: 2499-58-3
heptyl acrylate

: 1429122-83-7
heptyl 4,4-dinitropentanoate

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 20℃; for 3h;	83%

: 2998-23-4
pentyl acrylate

: 600-40-8
1,1-dinitroethane

: 1429122-81-5
pentyl 4,4-dinitropentanoate

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 20℃; for 3h;	82%

: 600-40-8
1,1-dinitroethane

: 2499-59-4
octyl acrylate

: 1429122-84-8
octyl 4,4-dinitropentanoate

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 20℃; for 4h;	82%

: octane-3-yl acrylate

: 600-40-8
1,1-dinitroethane

: 1429122-85-9
octane-3-yl 4,4-dinitropentanoate

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 20℃; for 5h;	80%

: 50-00-0
formaldehyd

: 600-40-8
1,1-dinitroethane

: 634900-36-0
C14H12N6O2

: C17H16N8O6

Conditions

Conditions	Yield
Stage #1: formaldehyd; C14H12N6O2 In methanol; water at 0 - 5℃; for 0.166667h; Stage #2: 1,1-dinitroethane In methanol; water at 20 - 55℃; for 1.25h;	78%

...Expand

: 600-40-8
1,1-dinitroethane

: 18804-90-5
N-(Carboaethoxy-imino-methyl)-urethan

: 212264-97-6
(1-Ethoxycarbonylamino-2,2-dinitro-propyl)-carbamic acid ethyl ester

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 96h;	77%

: 50-00-0
formaldehyd

: 600-40-8
1,1-dinitroethane

: 634900-34-8
C2H4N6O2

: C5H8N8O6

Conditions

Conditions	Yield
Stage #1: formaldehyd; C2H4N6O2 In methanol; water at 0 - 5℃; for 0.166667h; Stage #2: 1,1-dinitroethane In methanol; water at 20 - 55℃; for 1.25h;	73%

...Expand

: 600-40-8
1,1-dinitroethane

: 122-51-0
orthoformic acid triethyl ester

: 51-79-6
urethane

A: 18804-87-0
Tris-(aethoxycarbonylamino)-methan

B: 212264-97-6
(1-Ethoxycarbonylamino-2,2-dinitro-propyl)-carbamic acid ethyl ester

Conditions

Conditions	Yield
In toluene Heating;	A 14% B 72%

...Expand

: 600-40-8
1,1-dinitroethane

: 666728-78-5
2-(2,2-dinitropropyl)acrylaldehyde

: 666728-79-6
2-(2,2-dinitropropyl)-4,4-dinitropentanal

Conditions

Conditions	Yield
In methanol at 20 - 25℃; for 10h;	70%

: 600-40-8
1,1-dinitroethane

: 107-02-8
acrolein

: 5437-68-3
4,4-dinitropentanal

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol at 20℃; for 12h;	66%
With diethyl ether; N-benzyl-trimethylammonium hydroxide

: 600-40-8
1,1-dinitroethane

: 55-21-0
benzamide

: 122-51-0
orthoformic acid triethyl ester

A: 106404-83-5
N,N',N''-methanetriyl-tris-benzamide

B: C17H16N4O6

Conditions

Conditions	Yield
In toluene Heating;	A 55% B 9%

...Expand

: 50-00-0
formaldehyd

: 600-40-8
1,1-dinitroethane

: 634900-35-9
C4H8N6O2

: C7H12N8O6

Conditions

Conditions	Yield
Stage #1: formaldehyd; C4H8N6O2 In methanol; water at 0 - 5℃; for 0.166667h; Stage #2: 1,1-dinitroethane In methanol; water at 20 - 55℃; for 1.25h;	54%

...Expand

: 591-87-7
Allyl acetate

: 600-40-8
1,1-dinitroethane

: 5432-39-3
4,4-dinitro-pent-1-ene

Conditions

Conditions	Yield
With potassium methanolate; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine In isopropyl alcohol at 75℃; for 5h;	50%

: 625-33-2
3-penten-2-one

: 600-40-8
1,1-dinitroethane

: 3-Methyl-2,2-dinitro-5-hexanone

Conditions

Conditions	Yield
With ammonia; water In methanol; water at 20℃; for 24h; Condensation;	50%

: 600-40-8
1,1-dinitroethane

: 122-51-0
orthoformic acid triethyl ester

: 79-05-0
Propionamid

A: 94934-58-4
1,1,1-tris(propionamido)methane

B: N-(2,2-Dinitro-1-propionylamino-propyl)-propionamide

Conditions

Conditions	Yield
In toluene Heating;	A 42% B 12%

...Expand

: 60-35-5
acetamide

: 600-40-8
1,1-dinitroethane

: 122-51-0
orthoformic acid triethyl ester

A: 29284-49-9
1,1,1-tris(acetamido)methane

B: 1-Acetylamino-1-ethoxy-2,2-dinitropropane

C: N-(1-Acetylamino-2,2-dinitro-propyl)-acetamide

Conditions

Conditions	Yield
In toluene Heating;	A 38% B 15% C 26%

...Expand

: 541-46-8
isobutylamide

: 600-40-8
1,1-dinitroethane

: 122-51-0
orthoformic acid triethyl ester

A: N-[Bis-(3-methyl-butyrylamino)-methyl]-3-methyl-butyramide

B: 3-Methyl-N-[1-(3-methyl-butyrylamino)-2,2-dinitro-propyl]-butyramide

Conditions

Conditions	Yield
In toluene Heating;	A 36% B 28%

...Expand

: 600-40-8
1,1-dinitroethane

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 122-51-0
orthoformic acid triethyl ester

A: 4774-33-8
tris(formylamino)methane

B: N-(1-Formylamino-2,2-dinitro-propyl)-formamide

Conditions

Conditions	Yield
In toluene Heating;	A 31% B 8%

...Expand

: 600-40-8
1,1-dinitroethane

: 666728-78-5
2-(2,2-dinitropropyl)acrylaldehyde

: 2-(2,2-dinitropropyl)-4,4-dinitropenatanoic acid

Conditions

Conditions	Yield
Radionov catalyst In diethyl ether at 20℃; for 19h;	31%

1,1-Dinitroethane Chemical Properties

Product Name: 1,1-Dinitroethane
CAS Registry Number: 600-40-8
Synonyms: 1,1-Dinitroethane ; 4-01-00-00174 (Beilstein Handbook Reference) ; BRN 1758537 ; NSC 16150
Systematic Name: Ethane, 1,1-dinitro-
IUPAC Name: 1,1-Dinitroethane
Molecular Weight: 120.06416 [g/mol]
Molecular Formula: C₂H₄N₂O₄
XLogP3-AA: 0.5
H-Bond Acceptor: 4
Surface Tension: 44.6 dyne/cm
Density: 1.372 g/cm³
Flash Point: 79 °C
Enthalpy of Vaporization: 42.17 kJ/mol
Boiling Point: 185.5 °C at 760 mmHg
Vapour Pressure: 0.695 mmHg at 25°C
Following is the molecular structure of 1,1-Dinitroethane (CAS NO.600-40-8) is:

1,1-Dinitroethane Toxicity Data With Reference

ipr-mus LD50:250 mg/kg

KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. 10 (6)(1976),53.

1,1-Dinitroethane Safety Profile

A poison by intraperitoneal route. An unstable solid forbidden for transport. When heated to decomposition it emits toxic vapors of NO_x.

1,1-Dinitroethane Standards and Recommendations

DOT Classification: Forbidden

1,1-Dinitroethane Specification

Descriptors computed from structure, you can know some information about 1,1-Dinitroethane (CAS NO.600-40-8) :
Canonical SMILES: CC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C2H4N2O4/c1-2(3(5)6)4(7)8/h2H,1H3
InChIKey: LKKHEZBRRGJBGH-UHFFFAOYSA-N
Exact Mass: 120.017107
MonoIsotopic Mass: 120.017107
Topological Polar Surface Area: 86.3

Product Name

1,1-DINITROETHANE

Synthetic route

1,1-Dinitroethane Chemical Properties

1,1-Dinitroethane Toxicity Data With Reference

1,1-Dinitroethane Safety Profile

1,1-Dinitroethane Standards and Recommendations

1,1-Dinitroethane Specification

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