HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-o-Tolylbiguanid
o-tolyl · aliant · sopanox · eponocb · Nsc164906 · noccelerbg · vulkacit1000 · o-tolyldiguanide
Identifikatoren & physikalische Daten
| CAS No. | 147140-65-6 |
|---|---|
| Summenformel | C9H13N5 |
| Durchschnittliche Molmasse | 191,23 g/mol |
| Monoisotopische Masse | 191,11709544 g/mol |
| SMILES | Cc1ccccc1N=C(N)N=C(N)N |
| InChIKey | SQZCAOHYQSOZCE-UHFFFAOYSA-N |
| PubChem CID | 7155 |
| ChEMBL | CHEMBL3183356 |
| EC No. | 202-268-6 |
| DTXSID | DTXSID3042051 |
| Lokaler Name | 1-o-Tolylbiguanid |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 103 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 242 |
| Kosmetika | Antioxidant |
| Collision Cross Section | 148.5 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3042051] |
| Schmelzpunkt | 143-145 °C(lit.) |
| Siedepunkt | 316.98°C (rough estimate) |
| Dichte | 1.0790 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6380 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in water2.75g/L at 30℃ |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIOXIDANT |
| InChI | InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14) |
| InChIKey | SQZCAOHYQSOZCE-UHFFFAOYSA-N |
| SMILES | C(=N)(NC1=CC=CC=C1C)NC(=N)N |
| LogP (Verteilungskoeffizient) | 0.71 at 25℃ |
| CAS Datenbank | 93-69-6(CAS DataBase Reference) |
| EPA chemische Informationen | Imidodicarbonimidic diamide, N-(2-methylphenyl)- (93-69-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.5% (27 of 362) of reports.DangerH302+H332 (12.2%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 362 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Imidodicarbonimidic diamide, N-(2-methylphenyl)-Chemical: Imidodicarbonimidic diamide, N-(methylphenyl)-REACH registered substance: 1-o-tolylbiguanide (EC: 202-268-6)Imidodicarbonimidic diamide, N-(2-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (39%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29252900 |
| RTECS-Nr. | DU2800000 |
| R-Sätze (R) | 22-36/37/38-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Antioxidant for soaps produced from animal or vegetable oil.