Aminomalononitril-p-toluolsulfonat
Aminomalononitrile p-toluenesulphonate
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Grundinformationen
- CAS
5098-14-6- Standard-SMILES
Cc1ccc(S(=O)(=O)O)cc1.N#CC(N)C#N- InChIKey
MEUWQVWJLLBVQI-UHFFFAOYSA-N- Summenformel
- C10H11N3O3S
- Durchschnittliche Molmasse
- 253,28 g/mol
- Monoisotopische Masse
- 253,05211239
Namen und Bezeichner
- Bevorzugter Name
- Aminomalononitrile p-toluenesulphonate
- IUPAC
- 2-aminopropanedinitrile;4-methylbenzenesulfonic acid
- Lokaler Name
- Aminomalononitril-p-toluolsulfonat
- Englischer Name
- AMINOMALONONITRILE P-TOLUENESULFONATE
- Summenformel
- C10H11N3O3S
- Molmasse
- 253.28
Namen und Synonyme
5098-14-6Aminomalononitrile p-toluenesulphonateEINECS 225-817-1DTXSID50198981Propanedinitrile, amino-, mono(4-methylbenzenesulfonate)RefChem:557556DTXCID10121472225-817-12-Aminomalononitrile 4-methylbenzenesulfonateAminomalononitrile p-toluenesulfonate2-Aminomalononitrile 4-methylbenzenesulphonateMFCD00012848
Weitere Namen anzeigen
dicyanomethylazaniumAminomalononitrile p-AMinoMalonitrile tosylate2-Amino malononitrile.TsOH2-Amino malono nitrile tosylateaminomalonitrile p-toluenesulfonateAMINOMALONONITRILE P-TOLUENESULFOTEAMINOMALONONITRILE 4-TOLUENESULFONATE
2-aminopropanedinitrile; 4-methylbenzene-1-sulfonic acid2-aminopropanedinitrile;4-methylbenzenesulfonic acidaminomalononitrile tosylateAminomalonitrile toluene-4-sulfonateCS-W008782SB18326Aminomalononitrile p-Toluenesulfonic AcidAminomalonitrile Tosylate; Aminomalononitrile Tosylate; p-toluenesulfonate Amino-malononitrile; Mono(4-methylbenzenesulfonate) Amino-propanedinitrile
Datenbank-Bezeichner
- CAS
5098-14-6- PubChem CID
- 563049
- DTXSID
DTXSID50198981- EC Number
- 225-817-1
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 136 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 310
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 °C · 174 °C (dec.) (lit.)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- Solid
- Farbe
- Beige Powder,
- Wasserlöslichkeit
- almost transparency
- BRN
- 4050747 · 4050747
- Stabilität
- Hygroscopic
- 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
- SMILES
- C1(S(=O)(=O)O)C=CC(C)=CC=1.C(N)(C#N)C#N
- CAS Datenbank
- 5098 · 5098-14-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (10.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationPropanedinitrile, amino-, mono(4-methylbenzenesulfonate): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Acute Tox. 4 (95.7%)；Skin Irrit. 2 (10.9%)；Eye Irrit. 2 (10.9%)；Acute Tox. 4 (95.7%)
Regulatorische Informationen
Regulatory InformationPropanedinitrile, amino-, mono(4-methylbenzenesulfonate): Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Anwendungen
VerwendenAminomalononitrile p-toluenesulfonate was used in the syntheiss of 1-substituted 5-amino-4-cyano-2-hydroxyimidazoles.
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