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4,4'-Methylenbis(2-methyl)-benzolamin
4,4'-methylenedi-o-toluidine · mbot · me-mda · Kayahard MDT · 4.4'-DiaMino-3 · Methylene-bis(2-Methylani · 4,4’-methylenedi-o-toluidin · 4,4 -Methylendi-o-toluidine
Identifikatoren & physikalische Daten
| CAS No. | 838-88-0 |
|---|---|
| Summenformel | C15H18N2 |
| Durchschnittliche Molmasse | 226,32 g/mol |
| Monoisotopische Masse | 226,14699858 g/mol |
| SMILES | Cc1cc(Cc2ccc(N)c(C)c2)ccc1N |
| InChIKey | WECDUOXQLAIPQW-UHFFFAOYSA-N |
| PubChem CID | 13283 |
| ChEMBL | CHEMBL313443 |
| ChEBI | CHEBI:82343 |
| EC No. | 212-658-8 |
| DTXSID | DTXSID5020867 |
| Lokaler Name | 4,4'-Methylenbis(2-methyl)-benzolamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 217 |
| Stoffklassen | Carcinogens |
| Löslichkeit | >33.9 [ug/mL] (The mean of the results at pH 7.4)Insoluble in waterChloroform (Slightly), Methanol (Slightly) |
| Collision Cross Section | 171.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5020867] |
| Schmelzpunkt | 155-157 °C |
| Siedepunkt | 357.94°C (rough estimate) |
| Dichte | 0.9543 (rough estimate) |
| Dampfdruck | 1.8hPa at 205.5℃ |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 5.18±0.25(Predicted) |
| Farbe | White to Light yellow to Light orange |
| BRN | 398069 |
| Hauptanwendungen | cleaning productscosmeticsenvironmentalfood and beveragespersonal care |
| InChI | 1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3 |
| InChIKey | WECDUOXQLAIPQW-UHFFFAOYSA-N |
| SMILES | Cc1cc(Cc2ccc(N)c(C)c2)ccc1N |
| CAS Datenbank | 838-88-0(CAS DataBase Reference) |
| EPA chemische Informationen | 4,4'-Methylenebis(2-methylaniline) (838-88-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Hazard Traits - CarcinogenicityStatus: Active Update: 05-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19096Substance: 4,4'-methylenedi-o-toluidineThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Carcinogenicity - category 1BAcute toxicity (Oral) - Category 4CarcinogensCarc. 1B |
| Carcinogen Classification | 4,4'-Methylene bis(2-methylaniline)Group 2B: Possibly carcinogenic to humansVolume 4: (1974) Some Aromatic Amines, Hydrazine and Related Substances, N-Nitroso Compounds and Miscellaneous Alkylating Agents1987 |
| RAIS Toxicity Values | 0.00026CALEPA0.92 |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29215900 |
| RTECS-Nr. | BY5300000 |
| R-Sätze (R) | 45-22-43-50/53 |
| Gefahrensymbole | T,N |
Anwendungen & Verwendung
Verwenden
4,4'-Diamino-3,3'-dimethyldiphenylmethane can be used for preparation polyimide and epoxy resin material.