3-Dimethylaminophenol

3-(Dimethylamino)phenol

HCID 7421CAS 99-07-0

Grundinformationen

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 Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
23,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

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

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 1 Eintrag

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.

Air and Water ReactionsSensitive to prolonged exposure to air. Insoluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

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) · 1 Eintrag

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
3
tsca
TSCA listed
hs_code
29222900
RTECS-Nr.
SL1050000
risk_code
36/37/38-20/21/22
hazard_code
Xi,Xn

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.

Anbieter50 Anbieter

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