HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methyl-o-phenylendiamin
Toluene-3,4-diamine · o-Toluenediamine · 1,2-Benzenediamine, 4-methyl- · 3,4-DAT · JACS-496-72-0 · 3.4-Diaminotol · 3,4-TOLUOLDIAMINE · 3,4-Dhamphetamine
Identifikatoren & physikalische Daten
| CAS No. | 496-72-0 |
|---|---|
| Summenformel | C7H10N2 |
| Durchschnittliche Molmasse | 122,17 g/mol |
| Monoisotopische Masse | 122,08439832 g/mol |
| SMILES | Cc1ccc(N)c(N)c1 |
| InChIKey | DGRGLKZMKWPMOH-UHFFFAOYSA-N |
| PubChem CID | 10332 |
| ChEMBL | CHEMBL1319452 |
| EC No. | 105-428-2 |
| DTXSID | DTXSID9024930 |
| Lokaler Name | 4-Methyl-o-phenylendiamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 92,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Kosmetika | Cosmetic ingredients (Toluene-3,4-Diamine) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
| LogP (Verteilungskoeffizient) | 0.66 |
| Color/Form | LEAFLETS FROM PETROLEUM ETHER |
| Löslichkeit | less than 1 mg/mL at 63 °F (NTP, 1992)VERY SOL IN WATERChloroform (Sparingly), Methanol (Slightly)16 g/L (20 ºC) |
| Siedepunkt | 509 °F at 760 mmHg (Sublimes) (NTP, 1992)265 °C (sublimes)155-156 °C/18 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides/. |
| Schmelzpunkt | 192 to 194 °F (NTP, 1992)80-90 °C87-89 °C (lit.) |
| Physical Description | 3,4-diaminotoluene appears as a colorless to brownish purple crystalline solid. Toxic by ingestion and inhalation and an irritant to skin and eyes. Soluble in water, alcohol and ether. Decomposes to emit toxic oxides of nitrogen when heated to high temperature. Used in making dyes.Other SolidCBILiquid[HSDB] Colorless to brownish-purple solid[CAMEO] |
| Dichte | 1.2207 (rough estimate) |
| Brechungsindex | 1.5103 (estimate) |
| Flammpunkt | 155-156°C/18mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 4.59±0.10(Predicted) |
| Aggregatzustand | Crystalline Chunks or Flakes |
| Farbe | Brown to grayish-brown |
| BRN | 507965 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3 |
| InChIKey | DGRGLKZMKWPMOH-UHFFFAOYSA-N |
| SMILES | Cc1ccc(N)c(N)c1 |
| CAS Datenbank | 496-72-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Benzenediamine, 4-methyl-(496-72-0) |
| EPA chemische Informationen | 3,4-Diaminotoluene (496-72-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (79.1%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 287 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Benzenediamine, 4-methyl-1,2-Benzenediamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenediamine, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Cease Manufacture Update: 15-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/241394-Methyl-1,2-phenylenediamine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Ortho-toluenediamines: Human health tier II assessment |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include skin and eye irritation. |
| Gefahrenübersicht | External application to rabbit eyes scored 7 on a scale of 1-10 (10 being most severe) for degree of injury (2,3/3,4 mixture)Emergency treatment: Methemoglobinemia[HSDB] A skin and eye irritant[CAMEO] An irritantHarmful by ingestion, inhalation, or skin absorption[Aldrich MSDS] See 2,4-Diaminotoluene. |
| Reaktive Gruppe |
Anwendungen & Verwendung
Verwenden
5-Methylbenzotriazole intermediate.