HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-p-kresol
2-AMINO-4-METHYLPHENOL · 4-Methyl-2-aminophenol · O-AMINO-P-METHYLPHENOL · 2-AMINO-PARA-CRESOL, 97% · 2-HYDROXY-5-METHYLANILINE · CRESAMINE · 2-AMINO-P-CRESOL · 2-AMINO-4-CRESOL
Identifikatoren & physikalische Daten
| CAS No. | 95-84-1 |
|---|---|
| Summenformel | C7H9NO |
| Durchschnittliche Molmasse | 123,15 g/mol |
| Monoisotopische Masse | 123,06841391 g/mol |
| SMILES | Cc1ccc(O)c(N)c1 |
| InChIKey | ZMXYNJXDULEQCK-UHFFFAOYSA-N |
| PubChem CID | 7264 |
| ChEMBL | CHEMBL224282 |
| ChEBI | CHEBI:39713 |
| EC No. | 202-457-3 |
| DTXSID | DTXSID4024488 |
| Lokaler Name | 2-Amino-p-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Stoffklassen | Nitrogen Compounds -> Amino Phenols |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Löslichkeit | less than 1 mg/mL at 68 °F (NTP, 1992)slightly soluble |
| Siedepunkt | Sublimes (NTP, 1992)229.26°C (rough estimate) |
| Schmelzpunkt | 279 °F (NTP, 1992)133-136 °C(lit.) |
| Dampfdruck | 0.00308 [mmHg] |
| Physical Description | 2-amino-4-methylphenol is a brown powder. (NTP, 1992)Brown solid[CAMEO] Dark brown crystalline solid[Sigma-Aldrich MSDS] |
| Dichte | 1.0877 (rough estimate) |
| Brechungsindex | 1.5706 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 10.06±0.18(Predicted) |
| Aggregatzustand | Flakes or Crystalline Powder |
| Farbe | Beige to gray-brown |
| BRN | 606494 |
| InChI | InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3 |
| InChIKey | ZMXYNJXDULEQCK-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C)C=C1N |
| CAS Datenbank | 95-84-1(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Amino-p-cresol (95-84-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 65 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20332Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. |
| Gefahrenübersicht | A skin, eye, and mucous membrane irritant[NTP] A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Reaktive Gruppe | Phenols and Cresols |
| Reactivity Profile | 2-AMINO-4-METHYLPHENOL reacts with strong oxidizing agents. (NTP, 1992) |
| Air and Water Reactions | It may be sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| Brandbekämpfung | Fires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29222900 |
| RTECS-Nr. | SJ6078000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Das 2-Amino-4-methylphenol bildet gelbbraune, wasserunlösliche Kristalle. Die Verbindung wurde zur Herstellung von Azofarbstoffen verwendet, ist heute aber ohne technische Bedeutung.
Verwenden
2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.