3-Dimethylaminophenol
3-(Dimethylamino)phenol
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Grundinformationen
- CAS
99-07-0- Standard-SMILES
CN(C)c1cccc(O)c1- InChIKey
MESJRHHDBDCQTH-UHFFFAOYSA-N- Summenformel
- C8H11NO
- Durchschnittliche Molmasse
- 137,18 g/mol
- Monoisotopische Masse
- 137,08406397
Überblick
3-dimethylaminophenol appears as needles (from ligroin) or a dark gray solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 3-(Dimethylamino)phenol
- IUPAC
- 3-(dimethylamino)phenol
- Lokaler Name
- 3-Dimethylaminophenol
- Englischer Name
- 3-Dimethylaminophenol
- Summenformel
- C8H11NO
- Molmasse
- 137.18
Namen und Synonyme
3-DIMETHYLAMINOPHENOL3-(Dimethylamino)phenol99-07-0Phenol, 3-(dimethylamino)-m-(Dimethylamino)phenolPhenol, m-(dimethylamino)-(3-Hydroxyphenyl)dimethylamineN,N-Dimethyl-m-aminophenol3-Hydroxy-N,N-dimethylaniline3-N,N-DimethylaminophenolDTXSID0025101X6Q73Z0ZIJ
Weitere Namen anzeigen
3-DMAPDIMETHYLAMINOPHENOLNeostigmine impurity BNSC 62017JACS-99-07-03-DIMETHYLAMINPHENOL
DTXCID105101M-(N,N-DIMETHYLAMINO)PHENOLNSC-62017RefChem:495062202-727-0N,N-Dimethyl-3-aminophenol3-(Dimethylamlno)phenolm-Dimethylaminophenol
Datenbank-Bezeichner
- CAS
99-07-0- PubChem CID
- 7421
- DTXSID
DTXSID0025101- ChEMBL
CHEMBL225257- UNII
- X6Q73Z0ZIJ
- EC Number
- 202-727-0
- Nikkaji
- J113.882K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 23,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 103
Experimentelle und physikochemische Eigenschaften
LogP1.56
Solubilityless than 0.1 mg/mL at 68 °F (NTP, 1992)
Boiling Point509 to 514 °F at 760 mmHg (NTP, 1992)
Melting Point180 to 183 °F (NTP, 1992)
Physical Description3-dimethylaminophenol appears as needles (from ligroin) or a dark gray solid. (NTP, 1992)
Physikochemische Eigenschaften
- Schmelzpunkt
- 82 · 82-84 °C(lit.)
- Siedepunkt
- 265 · 265-268°C
- Dichte
- 1.0976 · 1.0976 (rough estimate)
- Brechungsindex
- 1.5895 · 1.5895 (estimate)
- Flammpunkt
- 148 °C · 148 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 152 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Phenol, 3-(dimethylamino)-
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
An amine and phenol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPhenol, 3-(dimethylamino)-: ACTIVE
Anwendungen
Verwenden3-Dimethylaminophenol can be used as neostigmine bromide intermediate and dye intermediate.
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Zugehörige Reaktionen
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