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CAS No.: | 5098-14-6 |
---|---|
Name: | AMINOMALONONITRILE P-TOLUENESULFONATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H8O3S.C3H3N3 |
Molecular Weight: | 253.282 |
Synonyms: | Aminomalononitrile p-toluenesulfonate |
EINECS: | 225-817-1 |
Density: | g/cm3 |
Melting Point: |
174 °C (dec.)(lit.) |
Boiling Point: | 484°Cat760mmHg |
Flash Point: | 246.5°C |
Solubility: | almost transparency |
Hazard Symbols: | |
Risk Codes: | R20/21/22 |
Safety: | 4050747 |
PSA: | 136.35000 |
LogP: | 2.38366 |
Conditions | Yield |
---|---|
With mesitylenesulfonylhydroxylamine 1.) THF, 0 deg C, 2.5 h; 2.) 0 deg C, 1 h; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
With O-(diphenylphosphinyl)hydroxylamine; sodium hydride 1.) THF, room temp., 1 h, 2.) THF, -78 deg C, 2 h, room temp.; Yield given. Multistep reaction; |
2-(hydroxyimino)malononitrile
malononitrile
2-aminomalononitrile p-toluenesulfonate
Conditions | Yield |
---|---|
With sulfuric acid; toluene-4-sulfonic acid; acetic acid; sodium nitrite; Pt/C In water; toluene |
methanol
2-chloro-benzaldehyde
2-aminomalononitrile p-toluenesulfonate
(E)-3-Amino-2-{[1-(2-chloro-phenyl)-meth-(E)-ylidene]-amino}-3-methoxy-acrylonitrile
Conditions | Yield |
---|---|
With sodium acetate at 22 - 24℃; for 6h; | 99% |
methanol
4-nitrobenzaldehdye
2-aminomalononitrile p-toluenesulfonate
(E,E)-4-amino-3-cyano-4-methoxy-1-(4-nitrophenyl)-2-aza-1,3-butadiene
Conditions | Yield |
---|---|
With sodium acetate at 22 - 24℃; for 13h; | 99% |
2-aminomalononitrile p-toluenesulfonate
4-Chlorophenyl isothiocyanate
5-amino-2-<(4-chlorophenyl)amino>-4-cyanothiazole
Conditions | Yield |
---|---|
With 1-methyl-pyrrolidin-2-one at 22 - 24℃; for 20h; | 96% |
With 1-methyl-pyrrolidin-2-one at 22 - 24℃; | 58% |
4-fluorobenzoyl chloride
2-aminomalononitrile p-toluenesulfonate
5-amino-2-(4-fluorophenyl)oxazole-4-carbonitrile
Conditions | Yield |
---|---|
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation; | 96% |
In 1-methyl-pyrrolidin-2-one at 20℃; for 144h; | 53% |
oxo-phenyl-acetaldehyde oxime
2-aminomalononitrile p-toluenesulfonate
2-amino-3-cyano-5-phenylpyrazine-1-N-oxide
Conditions | Yield |
---|---|
In isopropyl alcohol at 20℃; for 48h; Inert atmosphere; | 95% |
With toluene-4-sulfonic acid In isopropyl alcohol for 5h; Ambient temperature; Yield given; |
2-aminomalononitrile p-toluenesulfonate
benzoyl chloride
5-amino-2-phenyl[1,3]oxazole-4-carbonitrile
Conditions | Yield |
---|---|
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation; | 95% |
In various solvent(s) at 23 - 25℃; | 93% |
In 1-methyl-pyrrolidin-2-one at 20℃; for 12h; | 79% |
In 1-methyl-pyrrolidin-2-one at 20℃; for 192h; | 57% |
In 1-methyl-pyrrolidin-2-one at 20℃; |
2-aminomalononitrile p-toluenesulfonate
4-nitro-benzoyl chloride
2-(4-nitrophenyl)-5-amino-4-cyano-1,3-oxazole
Conditions | Yield |
---|---|
In various solvent(s) at 23 - 25℃; | 95% |
In 1-methyl-pyrrolidin-2-one at 20℃; for 168h; | 90% |
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Molecular Structure of 2-Aminomalononitrile 4-methylbenzenesulphonate (CAS No.5098-14-6):
Molecular Formula: C10H11N3O3S
Molecular Weight: 253.2776
CAS No: 5098-14-6
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 51.75 Å2
Flash Point: 246.5 °C
Enthalpy of Vaporization: 78.92 kJ/mol
Boiling Point: 484 °C at 760 mmHg
Vapour Pressure: 3.51E-10 mmHg at 25°C
InChI: InChI=1/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey: MEUWQVWJLLBVQI-UHFFFAOYAV
Std. InChI: InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
Std. InChIKey: MEUWQVWJLLBVQI-UHFFFAOYSA-N
Product Categories: Aromatic Esters;C1 to C5;Cyanides/Nitriles;Nitrogen Compounds
IUPAC Name: 2-Aminopropanedinitrile; 4-methylbenzenesulfonic acid
Hazard Codes: Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
RIDADR: 3439
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III
2-Aminomalononitrile 4-methylbenzenesulphonate (CAS No.5098-14-6), its synonyms are Aminomalononitrile 4-methylbenzenesulfonate (1:1) ; Dicyanomethanaminium 4-methylbenzenesulfonate ; Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1) .