Aminomalononitrile 4-methylbenzenesulfonate (1:1)

Basic Information

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CAS Number

5098-14-6

Molecular Formula

C10H11N3O3S

Molecular Weight

253.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

174 °C (dec.)

Boiling Point

484°C at 760 mmHg

Water Solubility

almost transparency

Flash Point

246.5°C

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)O.C(#N)C(C#N)N

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

InChIKey

MEUWQVWJLLBVQI-UHFFFAOYSA-N

LogP

2.38366

Complexity

310

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Aminomalonitrile toluene-4-sulfonate
AMINOMALONONITRILE-P-TOLUENE SULFONATE
STR01089
2-aminopropanedinitrile;4-methylbenzenesulfonic acid
FT-0622292
AM9601
2-aminomalononitrile p-toluenesulfonate
SCHEMBL715065
Propanedinitrile,2-amino-,4-methylbenzenesulfonate(1:1)
Dicyanomethylammonium p-Toluenesulfonate
2-Aminomalononitrile toluene-4-sulfonate
NS00081426
2-amino-malononitrile 4-toluenesufonate
2-Aminomalononitrile 4-methylbenzenesulfonate
Aminomalononitrile p-toluenesulfonate, 98%
5098-14-6
Aminomalononitrile-p-toluenesulfonate
SB18326
Propanedinitrile, amino-, mono(4-methylbenzenesulfonate)
EN300-1604790
DTXSID50198981
2-Aminomalononitrile 4-methylbenzenesulphonate
2-aminopropanedinitrile; 4-methylbenzene-1-sulfonic acid
2-Aminomalononitrile 4-methylbenzenesulfonate #
aminomalononitrile p-toluenesulfonate salt
CS-W008782
A1119
Aminomalononitrile p-Toluenesulfonic Acid
aminomalononitrile tosylate
A852343
Aminomalononitrile p-toluenesulfunic acid

MDL Number

MFCD00012848

Customs Code

2926909090

FAQ

What regulatory guidelines apply to Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6)?

Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6) is regulated under GHS classification for handling and labeling. It falls under REACH regulations for substance identification, registration, evaluation, and authorization. FDA and EPA have specific guidelines for its use in pharmaceuticals and environmental releases, respectively. Compliance with these regulations is crucial to ensure safe handling and disposal.

Are there alternatives to Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6) in synthesis?

Alternatives to Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6) in synthesis include other sulfonate esters and nitrile compounds. Common substitutes include 4-methylbenzenesulfonic acid derivatives and various nitrile analogs. These alternatives offer similar functional groups but may differ in reactivity and environmental impact.

What is the market or research trend for Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6)?

The market for Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as a precursor in organic synthesis and its potential in developing new materials. The trend towards sustainable chemistry and green chemistry is also influencing the development of this compound and its analogs.

How should waste containing Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6) be handled?

Waste containing Aminomalononitrile 4-methylbenzenesulfonate (1:1) (CAS: 5098-14-6) should be collected and stored in appropriate containers to prevent environmental contamination. Incineration is a common disposal method, but ensure it is conducted in accordance with local regulations. Professional waste disposal services should be used for handling and transporting the waste. Proper environmental protection measures, such as spill containment and proper labeling, are essential during handling and disposal.