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Cas Database |
| Name |
2-Aminomalononitrile 4-methylbenzenesulphonate |
EINECS | 225-817-1 |
| CAS No. | 5098-14-6 | Density | g/cm3 |
| PSA | 136.35000 | LogP | 2.38366 |
| Solubility | almost transparency | Melting Point |
174 °C (dec.)(lit.) |
| Formula | C7H8O3S.C3H3N3 | Boiling Point | 484°Cat760mmHg |
| Molecular Weight | 253.282 | Flash Point | 246.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 4050747 | Risk Codes | R20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Aminomalononitrile p-toluenesulfonate |
Article Data | 3 |
2-Aminomalononitrile 4-methylbenzenesulphonate Synthetic route
| 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; |
- 36568-05-5
2-(hydroxyimino)malononitrile
- 109-77-3
malononitrile
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
| Conditions | Yield |
|---|---|
| With sulfuric acid; toluene-4-sulfonic acid; acetic acid; sodium nitrite; Pt/C In water; toluene |
- 67-56-1
methanol
- 89-98-5
2-chloro-benzaldehyde
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
- 126210-91-1
(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% |
- 67-56-1
methanol
- 555-16-8
4-nitrobenzaldehdye
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
- 126210-93-3
(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% |
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
- 2131-55-7
4-Chlorophenyl isothiocyanate
- 134312-08-6
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% |
- 403-43-0
4-fluorobenzoyl chloride
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
- 958633-52-8
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% |
- 532-54-7
oxo-phenyl-acetaldehyde oxime
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
- 50627-20-8
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; |
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
- 98-88-4
benzoyl chloride
- 5098-18-0
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℃; |
- 5098-14-6
2-aminomalononitrile p-toluenesulfonate
- 122-04-3
4-nitro-benzoyl chloride
- 53657-73-1
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% |
2-Aminomalononitrile 4-methylbenzenesulphonate Chemical Properties
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
2-Aminomalononitrile 4-methylbenzenesulphonate Safety Profile
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 Specification
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) .
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