HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(3-Aminophenyl)methanesulfamide
Methanesulfonamide, N-(3-aminophenyl)- · N-(3-Aminophenyl) · m-Aminomethylsulfonylaniline · 3-(Methylsulfonamido)aniline · n-(3-aminophenyl)methanesulfon · 3-(Methylsulfonylamino)aniline · 3-N-(Methylsulfonyl)aminoaniline · N-(3-Aminophenyl)methanesulfamide
Identifikatoren & physikalische Daten
| CAS No. | 37045-73-1 |
|---|---|
| Summenformel | C7H10N2O2S |
| Durchschnittliche Molmasse | 186,23 g/mol |
| Monoisotopische Masse | 186,04629856 g/mol |
| SMILES | CS(=O)(=O)Nc1cccc(N)c1 |
| InChIKey | UQRRCQRFQGOHAI-UHFFFAOYSA-N |
| PubChem CID | 2734262 |
| EC No. | 627-715-6 |
| DTXSID | DTXSID30370182 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 80,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 232 |
| Schmelzpunkt | 117-121 °C (lit.) |
| Siedepunkt | 361.8±44.0 °C(Predicted) |
| Dichte | 1.408±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 9.12±0.10(Predicted) |
| InChI | InChI=1S/C7H10N2O2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3 |
| InChIKey | UQRRCQRFQGOHAI-UHFFFAOYSA-N |
| SMILES | CS(NC1=CC=CC(N)=C1)(=O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29350090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant for:Preparation of biologically and pharmacologically active molecules