4,4'-Dimethoxydiphenylamine (HCID 7571)

Überblick

4,4'-dimethoxydiphenylamine is a fine very light gray to silver-gray crystalline solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name: 4,4'-Dimethoxydiphenylamine
IUPAC: 4-methoxy-N-(4-methoxyphenyl)aniline
Lokaler Name: N-(4-Methoxyphenyl)-p-anisidin
Englischer Name: 4,4'-DIMETHOXYDIPHENYLAMINE
Summenformel: C14H15NO2
Molmasse: 229.27

Namen und Synonyme

101-70-24,4'-DIMETHOXYDIPHENYLAMINEBis(4-methoxyphenyl)amineDi-p-anisylamineBis(p-anisyl)amineBenzenamine, 4-methoxy-N-(4-methoxyphenyl)-Bis(p-methoxyphenyl)aminep,p'-DimethoxydiphenylamineDi-p-methoxyphenylamineTermofleks ABis(p-anisylamine)Difenam

Weitere Namen anzeigen

K0353Di-P-Methoxyphenyl4,4'-DIMETHOXYDIPHEN4,4'-DIMETHOXYDIPHENYL-DIMETHOXYDIPHENYLAMINE

Termofleks A [Czech]CCRIS 46244-Biphenylamine, 4,4'-dimethoxy-N,N-bis(4-Methoxyphenyl)amineDTXSID3025093N-(4-Methoxyphenyl)-p-anisidineEINECS 202-968-1I912MLM9XT

Datenbank-Bezeichner

CAS: 101-70-2
PubChem CID: 7571
DTXSID: DTXSID3025093
ChEMBL: CHEMBL1586339
UNII: I912MLM9XT
EC Number: 202-968-1
Nikkaji: J3.596C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 30,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 184

Experimentelle und physikochemische Eigenschaften

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description4,4'-dimethoxydiphenylamine is a fine very light gray to silver-gray crystalline solid. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-102°C
Siedepunkt: 371.18 °C · 371.18°C (rough estimate)
Dichte: 1.0955 · 1.0955 (rough estimate)
Brechungsindex: 1.53 · 1.5300 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 2.16 · 2.16±0.40(Predicted)
Farbe: Off-White to Light Brown
Wasserlöslichkeit: Soluble in methanol. Insoluble in water.
BRN: 2214262 · 2214262
Stabilität: Stability Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3
InChIKey: VCOONNWIINSFBA-UHFFFAOYSA-N
SMILES: COc1ccc(Nc2ccc(OC)cc2)cc1
CAS Datenbank: 101 · 101-70-2(CAS DataBase Reference)
NIST chemische Informationen: Di-(4-methoxy phenyl) amine(101-70-2)
EPA chemische Informationen: 4 · 4,4'-Dimethoxydiphenylamine (101-70-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

Health HazardsACUTE/CHRONIC HAZARDS: This compound can produce extremely irritating fumes when exposed to air or fire. (NTP, 1992)

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity Profile · 1 Eintrag

4,4'-DIMETHOXYDIPHENYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air. Slowly oxidized. Insoluble in water.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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: 29222990
RTECS-Nr.: DU9085000
risk_code: 68-40-36/37/38
Toxizität: mouse,LD50,oral,2500mg/kg (2500mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: TREMORLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,Kauchuk i Rezina. Crude and Vulcanized Rubber. Vol. 26(9), Pg. 28, 1967.
hazard_code: Xn
safety_code: 22-36/37/39-36/37-26-53
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 4-methoxy-N-(4-methoxyphenyl)-: ACTIVE

Anwendungen · 1 Eintrag

Beschreibung4,4'-Dimethoxydiphenylamine is a diphenylamine containing electron-donating substituents that exhibits antioxidant activity. When present as an antioxidant, it is consumed to generate nitroso radicals, which in turn exert antioxidant effects [1]. It can also be used in the synthesis of 9,9′-bis(fluorenylidene) (KR216) hole-transporting materials. When applied in perovskite solar cells, it achieves a power conversion efficiency of 17.8% [2].