Grundinformationen
- Standard-SMILES
Cc1ccc(O)c(N)c1- InChIKey
ZMXYNJXDULEQCK-UHFFFAOYSA-N- Summenformel
- C7H9NO
- Durchschnittliche Molmasse
- 123,15 g/mol
- Monoisotopische Masse
- 123,06841391
Überblick
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-4-methylphenol
- IUPAC
- 2-amino-4-methylphenol
- Lokaler Name
- 2-Amino-p-kresol
- Englischer Name
- 2-Amino-p-cresol
- Summenformel
- C7H9NO
- Molmasse
- 123.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
95-84-1- PubChem CID
- 7264
- DTXSID
DTXSID4024488- ChEMBL
CHEMBL224282- ChEBI
CHEBI:39713- UNII
- 9ZV2574SER
- EC Number
- 202-457-3
- Nikkaji
- J95.381D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94,9
Experimentelle und physikochemische Eigenschaften
Physical Description
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Brown solid; [CAMEO] Dark brown crystalline solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 · 133-136 °C(lit.)
- Siedepunkt
- 229.26 °C · 229.26°C (rough estimate)
- Dichte
- 1.0877 · 1.0877 (rough estimate)
- Brechungsindex
- 1.5706 · 1.5706 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- slightly soluble
- pka
- 10.06 · 10.06±0.18(Predicted)
- Aggregatzustand
- Flakes or Crystalline Powder
- Farbe
- Beige to gray-brown
- Wasserlöslichkeit
- slightly soluble
- BRN
- 606494 · 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 · 95-84-1(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Amino-p-cresol (95-84-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.
Warning
H302 (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.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20332
Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheit und Schutzausrüstung
First Aid
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.
Nonfire Spill Response
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.
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)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29222900
- RTECS-Nr.
- SJ6078000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungDas 2-Amino-4-methylphenol bildet gelbbraune, wasserunlösliche Kristalle. Die Verbindung wurde zur Herstellung von Azofarbstoffen verwendet, ist heute aber ohne technische Bedeutung.
Verwenden2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.
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