4-Methylaminophenol

4-(methylamino)phenol · Phenol, 4-(methylamino)- · 4-(Methylamino) · 4-N-METHYLAMINOPHENOL · p-(methylamino)-pheno · PARA-METHYLAMINOPHENOL · n-methyl-4-aminophenol · N-Methyl-4-hydroxyaniline

https://huagongshe.com/de/chemical/5931

Identifikatoren & physikalische Daten

CAS No.	150-75-4
Summenformel	C7H9NO
Durchschnittliche Molmasse	123,15 g/mol
Monoisotopische Masse	123,06841391 g/mol
SMILES	CNc1ccc(O)cc1
InChIKey	ZFIQGRISGKSVAG-UHFFFAOYSA-N
PubChem CID	5931
ChEMBL	CHEMBL1741003
ChEBI	CHEBI:55416
EC No.	205-768-2
DTXSID	DTXSID8043783
Lokaler Name	4-Methylaminophenol

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	32,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	77
Stoffklassen	Nitrogen Compounds -> Amino Phenols
Kosmetika	Cosmetic ingredients (p-Methylaminophenol) -> CIR (Cosmetic Ingredient Review)Hair dyeing
LogP (Verteilungskoeffizient)	log Kow = 0.790.974
Color/Form	Colorless needles
Löslichkeit	Soluble in alcohol, etherSlightly soluble in ethanolinsoluble in diethyl etherSolubility in water, g/100ml at 25 °C: 1.17
Siedepunkt	209-211 °C at 1.6 kPa262.7±23.0 °C(Predicted)
Decomposition	The substance decomposes on burning producing toxic fumes including nitrogen oxides.
Schmelzpunkt	87 °C
Dampfdruck	0.05 [mmHg]3.07X10-3 mm Hg at 25 °C
Physical Description	Colorless solid[ICSC]COLOURLESS CRYSTALS.
Dichte	1.147±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	11.31±0.26(Predicted)
Henry-Konstante	2.2×104 mol/(m3Pa) at 25℃, HSDB (2015)
Kosmetik-Inhaltsstoffe Funktionen	HAIR DYEING
InChI	InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3
InChIKey	ZFIQGRISGKSVAG-UHFFFAOYSA-N
SMILES	C1(O)=CC=C(NC)C=C1
CAS Datenbank	150-75-4
EPA chemische Informationen	4-(Methylamino)phenol (150-75-4)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H302: Harmful if swallowed [Warning Acute toxicity, oral]
Regulatorische Informationen	Chemical: Phenol, 4-(methylamino)-
Weitere Sicherheitsinformationen	IMAP assessments - p-Methylaminophenol and its sulfate: Human health tier II assessment
Brandgefahren	Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
Brandpotenzial	Combustible.
Gefahrenübersicht	A mutagen[RTECS] A skin and eye irritantMay cause skin sensitizationMay have adverse effects on blood cells[ICSC] Emergency treatment: MethemoglobinemiaA skin and eye irritantMay cause allergic dermatitis[HSDB]The major hazards encountered in the use and handling of N-methyl-4-aminophenol stem from its toxicologic properties. Exposure to this colorless crystalline substance may occur through dermal contact or inhalation at sites where it is commercially produced or used. Exposure to N-methyl-4-aminophenol may cause eye and skin irritation, including a persistent allergic dermatitis. In case of contact, immediately flush skin or eyes with running water for at least 15 minutes. Contaminated clothing and shoes should be removed and isolated at the site. When engaged in emergency activities involving N-methyl-4-aminophenol, wear a self-contained breathing apparatus and chemical protective clothing specifically recommended by the shipper or producer. N-methyl-4-aminophenol does not ignite easily, however, it may burn producing irritating or poisonous gases. Also, containers of the substance may explode in the heat of a fire. For small fires involving N-methyl-4-aminophenol, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Dike runoff from fire control water because it may give off poisonous gases and cause pollution. N-methyl-4-aminophenol may be shipped via air, rail, road, and water, in containers bearing the label, "Keep away from food." Prior to implementing permanent land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance.

Anwendungen & Verwendung

Verwenden

4-Hydroxy-N-methylaniline is a useful synthetic intermediate. It is used to synthesize arylidene amino azolones with anticancer activity. It is also used to prepare N-(4-hydroxyphenyl)retinamide analogs with antitumor and apoptosis-inducing activities.